data_1xn5_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 1xn5 _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' ' ' ILE . . . . . . . . . . . . . 53.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 HD13 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' SER . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.561 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.632 ' CE1' ' CG1' ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.415 ' NE1' HD21 ' A' ' 49' ' ' LEU . 14.3 t90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.632 ' CG1' ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 129' ' ' VAL . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.523 0.201 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 93' ' ' PHE . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 97.5 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.466 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.566 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.451 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' CG2' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 39' ' ' LEU . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.555 0.216 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.41 ' ND1' ' HG2' ' A' ' 9' ' ' LYS . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.402 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.451 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' HIS . 25.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' CE2' ' A' ' 73' ' ' TRP . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.409 ' CG2' HG22 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.529 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.437 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.439 ' CG1' HG23 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.403 ' NE1' ' HA ' ' A' ' 30' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 ' CD2' ' NE1' ' A' ' 73' ' ' TRP . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 54' ' ' GLY . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' OG ' ' A' ' 51' ' ' SER . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.588 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CE1' ' CG1' ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.455 ' NE1' ' CD2' ' A' ' 49' ' ' LEU . 16.8 t90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.439 HG23 ' CG1' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.521 0.2 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.425 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.431 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 6.0 t-160 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.402 ' CG2' HG13 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.467 ' CG2' HG22 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.605 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.488 ' CZ2' ' HE2' ' A' ' 35' ' ' MET . 2.9 t90 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.424 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 2.9 t-160 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.414 HD22 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.435 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' NE1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 39' ' ' LEU . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.589 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.534 ' NE1' ' CD2' ' A' ' 49' ' ' LEU . 16.0 t90 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CE1' HG22 ' A' ' 129' ' ' VAL . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 133' ' ' LEU . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 78.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 39' ' ' LEU . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.6 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 2.8 t90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.533 HD12 ' CZ3' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 95' ' ' ILE . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 130' ' ' ASN . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.419 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 57.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG1' HG22 ' A' ' 91' ' ' THR . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 54' ' ' GLY . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' OG ' ' A' ' 51' ' ' SER . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.408 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.4 ' N ' HG21 ' A' ' 80' ' ' VAL . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.41 HG22 ' CG1' ' A' ' 17' ' ' ILE . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 2.7 t-160 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.444 0.164 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 58.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 21' ' ' TRP . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD23 ' NE1' ' A' ' 73' ' ' TRP . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.41 ' NE1' HD23 ' A' ' 49' ' ' LEU . 19.1 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.462 0.172 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.4 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 52.3 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 133' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD12 ' A' ' 39' ' ' LEU . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.436 ' CG2' HG22 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.587 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.513 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' HG12 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.436 HG22 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.416 ' NE1' HD23 ' A' ' 49' ' ' LEU . 9.8 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.501 HG12 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' ' 17' ' ' ILE . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 23.1 t60 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 33' ' ' TRP . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.428 ' CG2' HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 39' ' ' LEU . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.594 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 71' ' ' PHE . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.451 ' CG2' ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 129' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.504 0.192 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 121' ' ' MET . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 t-160 -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 93' ' ' PHE . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.453 ' CG1' HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.47 ' CZ2' ' O ' ' A' ' 65' ' ' ARG . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' N ' ' OG ' ' A' ' 27' ' ' SER . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD2' ' CE2' ' A' ' 73' ' ' TRP . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.594 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.486 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 15.2 t90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 71' ' ' PHE . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 68' ' ' LYS . 24.3 m-70 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 1.7 t-160 -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.471 ' CD1' ' SD ' ' A' ' 121' ' ' MET . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.441 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 35' ' ' MET . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 HD21 ' N ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.573 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.451 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.525 ' CE1' HG23 ' A' ' 129' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.518 0.199 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.509 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 9.7 t-160 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.525 HG23 ' CE1' ' A' ' 93' ' ' PHE . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.509 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.3 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 33' ' ' TRP . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.554 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 70.3 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.415 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.503 ' HE2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.458 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 17.3 t90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.509 ' CE1' HG23 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.498 0.19 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.472 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.509 HG23 ' CE1' ' A' ' 93' ' ' PHE . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' CA ' HG23 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 129' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.546 HG13 ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.474 0.178 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.434 HG23 ' CE1' ' A' ' 93' ' ' PHE . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.432 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.429 ' CG1' HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 13' ' ' PHE . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 136' ' ' ILE . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' ' CZ2' ' A' ' 73' ' ' TRP . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.593 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.67 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.67 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.473 HG21 ' CE1' ' A' ' 83' ' ' HIS . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.473 ' CE1' HG21 ' A' ' 81' ' ' THR . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' A' ' 133' ' ' LEU . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' MET . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.515 HG23 ' CE1' ' A' ' 93' ' ' PHE . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.442 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 93' ' ' PHE . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 33' ' ' TRP . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG13 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.585 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.407 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.8 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.531 0.205 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 133' ' ' LEU . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CB ' HG22 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HG13 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.579 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.664 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.3 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 133' ' ' LEU . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.405 HG13 ' CG2' ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' CG1' ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.594 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.401 ' CD1' HG13 ' A' ' 136' ' ' ILE . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 11.6 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 81' ' ' THR . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 83' ' ' HIS . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CE1' HG21 ' A' ' 81' ' ' THR . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.473 ' CE2' HD23 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.519 0.199 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 93' ' ' PHE . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 87.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.445 ' CB ' HG22 ' A' ' 91' ' ' THR . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.518 ' CH2' ' HE2' ' A' ' 35' ' ' MET . 3.1 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 17' ' ' ILE . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.429 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 129' ' ' VAL . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 3.3 t-160 -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.491 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t-160 -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 93' ' ' PHE . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.403 HD22 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.434 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.508 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -154.87 35.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.06 174.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.26 153.26 53.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 148.96 35.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.1 167.33 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.5 mt -108.26 80.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 HD13 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' SER . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.561 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.632 ' CE1' ' CG1' ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.443 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 14.3 t90 -152.54 128.84 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 77.61 171.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.6 p -104.17 -34.92 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -40.44 -64.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.96 65.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -125.54 110.3 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.632 ' CG1' ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' N ' HD13 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 129' ' ' VAL . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -130.44 160.25 34.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.0 53.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -124.42 170.32 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -118.2 -171.88 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -50.81 145.81 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.75 78.73 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.54 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -63.22 121.32 13.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -79.01 153.3 30.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.83 120.96 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -78.91 -25.41 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.17 -75.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.07 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 144.71 -63.67 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.53 166.71 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.53 159.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.34 -45.45 80.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.19 74.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.41 -52.8 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.62 -39.3 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -54.24 -53.18 57.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.71 -45.62 93.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -60.11 -56.12 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -50.04 74.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 93' ' ' PHE . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.502 0.191 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 3' ' ' ARG . 19.9 p -145.82 -173.06 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.612 ' H ' ' NE2' ' A' ' 102' ' ' GLN . 8.5 ptt85 45.8 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mt -140.71 144.27 35.4 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 160.92 20.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.549 HG13 ' CE1' ' A' ' 118' ' ' HIS . 97.5 mt -100.7 63.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.566 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' CG2' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 39' ' ' LEU . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -104.77 129.34 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.73 170.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -43.75 -41.14 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -176.5 113.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.23 -88.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -115.71 163.55 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -144.7 167.82 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.38 40.4 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -104.83 -178.5 3.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -119.45 -155.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -79.74 157.42 27.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.7 50.32 4.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -140.96 -48.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 t -66.24 163.74 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -113.63 158.43 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.86 112.07 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.37 64.19 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.1 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.49 42.42 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -173.68 156.25 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -46.22 154.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -44.51 95.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.83 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.1 t -51.18 -52.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -61.81 -37.38 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.549 ' CE1' HG13 ' A' ' 7' ' ' ILE . 16.2 t60 -58.47 -51.9 67.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.553 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.52 -41.41 96.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -59.65 -64.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -39.3 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.41 ' ND1' ' HG2' ' A' ' 9' ' ' LYS . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.402 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.451 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.3 p -140.68 155.26 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -176.91 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' HG ' ' CA ' ' A' ' 103' ' ' GLY . 47.4 mt -77.63 114.49 41.52 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.77 32.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 123.03 17.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' HIS . 25.2 mt -62.77 89.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.596 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' CE2' ' A' ' 73' ' ' TRP . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.409 ' CG2' HG22 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 -143.08 131.94 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' OD1' ' CD1' ' A' ' 73' ' ' TRP . 17.1 m-20 66.71 154.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.8 p -108.45 44.48 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -102.27 -45.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.97 45.39 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -126.83 130.1 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -133.64 171.57 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.18 42.77 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -121.46 178.73 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -127.37 -164.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -54.46 137.93 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.449 ' CA ' ' HG ' ' A' ' 4' ' ' LEU . . . -69.94 80.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 179.13 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.8 p -50.37 168.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -120.51 151.96 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.4 t -102.46 97.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -48.86 -25.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 45.33 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -160.24 -69.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.9 -30.15 4.93 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.9 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.88 152.92 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -25.73 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.24 -40.72 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.73 -43.57 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.49 -36.21 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.14 -53.16 60.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.88 -43.4 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.33 -64.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -44.32 81.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.437 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p 45.3 92.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.54 145.18 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' CD1' ' HA2' ' A' ' 103' ' ' GLY . 17.3 mt -109.75 104.19 54.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 146.53 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD12 ' CE2' ' A' ' 100' ' ' TRP . 67.6 mt -91.51 61.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.439 ' CG1' HG23 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.403 ' NE1' ' HA ' ' A' ' 30' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 ' CD2' ' NE1' ' A' ' 73' ' ' TRP . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 54' ' ' GLY . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' OG ' ' A' ' 51' ' ' SER . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CE1' ' CG1' ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.455 ' NE1' ' CD2' ' A' ' 49' ' ' LEU . 16.8 t90 -144.48 130.23 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 4.6 t70 75.05 -177.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 p -134.12 23.69 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.387 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.96 -43.99 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.74 48.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.67 129.45 49.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.439 HG23 ' CG1' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m -120.95 165.25 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.09 50.67 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.427 ' CE2' HD12 ' A' ' 7' ' ' ILE . 47.9 m95 -133.32 150.57 51.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.75 -167.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 103' ' ' GLY . 24.2 tt0 -49.38 154.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 4' ' ' LEU . . . -83.88 76.98 2.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.26 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -61.48 88.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -44.3 150.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.39 166.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -103.01 -53.59 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.51 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.02 -39.49 1.32 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -84.94 174.7 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -55.97 158.84 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.95 -36.97 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.83 85.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.1 t -62.72 -54.79 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.6 -44.07 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.44 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 64.5 t60 -47.39 -52.48 16.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.96 -48.93 64.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -64.92 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -49.66 70.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.425 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.431 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 6.0 t-160 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.538 0.209 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 t -169.72 -156.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 63.24 177.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.1 mt -53.55 154.96 5.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.81 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -68.27 136.22 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 61.2 mt -78.15 67.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.402 ' CG2' HG13 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.467 ' CG2' HG22 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.605 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.488 ' CZ2' ' HE2' ' A' ' 35' ' ' MET . 2.9 t90 -106.94 127.97 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.96 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -52.49 -54.8 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -164.35 111.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.46 -84.81 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -120.83 158.7 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.424 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -152.35 165.42 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.8 49.82 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.468 ' CZ2' HD13 ' A' ' 7' ' ' ILE . 26.4 m95 -111.83 179.97 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -102.94 -170.21 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 139.68 28.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.13 59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.566 1.166 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.93 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -55.46 172.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -114.59 152.28 32.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 114' ' ' SER . 99.9 t -75.46 138.33 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -90.89 33.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -164.71 37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 171.99 117.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.65 -31.07 1.01 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -75.68 154.05 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.69 159.92 22.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.407 ' HA ' ' CG2' ' A' ' 107' ' ' VAL . 12.8 t -53.02 -47.14 68.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.76 93.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.77 -48.56 85.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.54 -48.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -47.3 -54.27 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.91 -44.88 96.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -65.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -35.2 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 2.9 t-160 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.414 HD22 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 3' ' ' ARG . 9.4 t -70.26 -160.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 2' ' ' THR . 3.0 ptt180 -51.58 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt -53.54 113.69 5.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.03 33.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -40.73 114.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.658 ' CG1' ' CE1' ' A' ' 118' ' ' HIS . 72.4 mt -57.55 90.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.435 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' NE1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 39' ' ' LEU . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.534 ' NE1' ' CD2' ' A' ' 49' ' ' LEU . 16.0 t90 -143.82 131.62 21.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.82 166.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -120.78 55.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -46.02 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.84 47.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 99' ' ' GLY . 14.0 m0 -131.08 111.93 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CE1' HG22 ' A' ' 129' ' ' VAL . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -125.56 155.29 40.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 78' ' ' TRP . . . 123.28 54.42 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -126.36 175.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.32 -161.56 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' ' CB ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -56.88 153.01 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.87 43.12 3.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.38 35.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 106' ' ' LYS . 5.1 t -126.07 -178.77 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 105' ' ' THR . 7.0 ttpp -128.43 154.59 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 110' ' ' ALA . 21.4 t -101.45 103.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -26.31 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -93.02 30.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' VAL . . . -176.51 113.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.5 -25.47 2.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.08 171.73 11.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -97.65 168.43 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.241 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -68.52 -47.08 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.53 -37.11 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.04 -53.95 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.07 -33.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.658 ' CE1' ' CG1' ' A' ' 7' ' ' ILE . 4.1 t60 -63.61 -52.37 61.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.69 -40.53 92.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -64.66 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm -63.2 -46.33 87.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 133' ' ' LEU . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.478 0.18 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -107.32 -178.76 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 62.87 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.25 123.0 73.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.58 1.831 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.25 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 78.1 mt -87.83 66.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 39' ' ' LEU . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.6 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.493 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 2.8 t90 -121.55 128.12 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.53 170.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -47.53 -42.87 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -178.34 115.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.44 -93.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.95 158.46 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.533 HD12 ' CZ3' ' A' ' 125' ' ' TRP . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -127.58 167.84 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.65 53.05 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -126.33 163.17 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -107.23 -169.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -53.72 147.79 11.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.45 60.62 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.37 -46.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t -59.82 168.67 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -114.54 148.39 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 47.6 t -80.36 112.07 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -18.72 54.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 110' ' ' ALA . 6.1 tttt -104.33 39.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 109' ' ' LYS . . . 164.42 112.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.67 -32.5 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.63 156.16 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.89 159.58 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.9 p -58.72 -32.41 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.47 -48.0 36.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.3 t -58.46 -47.71 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.64 -35.88 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.4 OUTLIER -57.81 -53.55 56.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.51 -48.58 76.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -52.35 -54.45 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt -69.04 -47.4 65.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 95' ' ' ILE . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 130' ' ' ASN . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.419 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.468 0.175 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 m 63.29 126.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 173.03 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.67 116.91 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 145.82 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.511 HD12 ' CE2' ' A' ' 100' ' ' TRP . 57.7 mt -84.36 61.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.556 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG1' HG22 ' A' ' 91' ' ' THR . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 54' ' ' GLY . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' OG ' ' A' ' 51' ' ' SER . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.408 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 -151.91 129.22 11.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 69.83 149.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -103.15 45.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.91 -64.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.32 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -124.74 115.81 21.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.4 ' N ' HG21 ' A' ' 80' ' ' VAL . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.41 HG22 ' CG1' ' A' ' 17' ' ' ILE . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 2.7 t-160 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m -130.49 163.59 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.47 31.13 2.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.511 ' CE2' HD12 ' A' ' 7' ' ' ILE . 95.8 m95 -104.08 -179.37 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -124.16 -141.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -95.28 165.69 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.38 27.93 12.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.46 26.56 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 t -137.6 -172.98 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -137.77 157.55 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.98 148.88 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -110.94 44.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -155.51 -62.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -72.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 151.23 -50.72 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.17 174.07 8.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.11 166.27 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -67.04 -36.41 82.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.26 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -54.51 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.32 -51.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.433 ' HA ' ' CH2' ' A' ' 100' ' ' TRP . 19.1 t-80 -47.61 -56.19 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.17 -50.53 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -61.63 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -46.25 79.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.488 0.185 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 1' ' ' MET . 14.7 t 47.91 -166.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -173.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.56 141.37 95.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.84 40.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.85 135.62 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 58.3 mt -73.76 68.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 21' ' ' TRP . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD23 ' NE1' ' A' ' 73' ' ' TRP . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.1 t90 -151.65 130.66 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 1.9 t70 78.77 169.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 p -122.48 51.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.21 -65.14 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.59 42.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 11.1 m0 -116.06 110.13 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m -141.1 173.08 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.72 50.31 0.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 87.9 m95 -117.66 -178.0 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.16 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' ASP . 13.7 pt20 -56.76 135.77 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.75 71.34 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLN . 8.7 t0 -170.52 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -61.2 -177.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -129.12 151.98 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.04 127.65 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -79.27 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.72 -65.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.58 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.33 67.11 0.86 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 172.45 154.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.04 152.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.7 p -66.35 -32.28 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.89 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.72 -53.08 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.484 HG12 ' CZ3' ' A' ' 100' ' ' TRP . 1.2 p -58.58 -39.7 76.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 t-80 -58.73 -50.67 73.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.24 -39.87 94.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -60.36 -57.54 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -43.14 79.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.4 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' CG2' ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.552 0.215 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 177.53 162.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 102' ' ' GLN . 3.5 mpt_? -43.21 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 23.3 mt -43.84 115.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.58 42.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 145.53 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.449 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 52.3 mt -72.68 72.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 133' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD12 ' A' ' 39' ' ' LEU . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.436 ' CG2' HG22 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.587 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.513 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' HG12 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.436 HG22 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.492 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 9.8 t90 -147.94 128.79 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' CG ' ' CD1' ' A' ' 73' ' ' TRP . 6.3 m-20 63.84 160.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.4 t -111.77 46.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -20.12 13.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.02 31.1 2.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -107.91 133.01 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 HG12 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' ' 17' ' ' ILE . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m -116.35 157.85 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.42 59.78 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -137.43 171.0 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -114.04 -173.35 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 3' ' ' ARG . 4.3 pt20 -56.24 142.72 36.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.89 82.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER 175.64 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.447 HG23 ' CG ' ' A' ' 102' ' ' GLN . 80.9 p -38.56 149.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -98.5 162.93 12.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.78 146.21 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -111.7 53.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 112' ' ' ALA . . . 122.67 121.15 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 111' ' ' GLY . . . 84.24 157.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -38.36 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.439 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.75 69.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 36.1 t -75.48 -48.75 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 111' ' ' GLY . 15.2 t -64.79 -42.33 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 t-80 -49.66 -54.34 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.01 -48.82 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -58.45 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm -55.51 -40.39 71.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 23.1 t60 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 33' ' ' TRP . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.527 0.204 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.39 117.23 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 -172.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 mt -106.15 116.8 58.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 139.63 30.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.93 65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.428 ' CG2' HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CZ ' HD12 ' A' ' 49' ' ' LEU . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 39' ' ' LEU . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.594 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -137.16 128.81 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 171.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.1 p -124.27 63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -44.08 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.44 56.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -140.83 109.5 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 71' ' ' PHE . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.451 ' CG2' ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 129' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m -137.14 171.92 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.61 41.26 2.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 43.7 m95 -116.57 164.46 14.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -109.6 -175.74 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.14 162.89 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.63 46.18 3.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -129.07 -45.71 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 t -64.03 164.77 10.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -110.63 158.49 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.0 t -104.22 73.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -46.12 -37.58 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -47.85 70.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.42 -57.86 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.0 36.4 1.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.73 159.25 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.423 ' HB2' ' CG2' ' A' ' 116' ' ' VAL . 2.0 mm-40 -56.1 149.57 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -35.3 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.12 76.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 113' ' ' GLU . 87.1 t -60.04 -51.76 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.43 -43.03 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -48.09 -54.3 13.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.543 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.38 -50.77 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -51.56 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -59.58 -46.73 88.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 121' ' ' MET . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 t-160 -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 93' ' ' PHE . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.455 0.169 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p 44.04 -167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.92 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.68 137.88 21.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.51 29.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -71.93 131.92 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 118' ' ' HIS . 11.0 mt -70.98 63.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.453 ' CG1' HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.47 ' CZ2' ' O ' ' A' ' 65' ' ' ARG . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' N ' ' OG ' ' A' ' 27' ' ' SER . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD2' ' CE2' ' A' ' 73' ' ' TRP . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.594 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 15.2 t90 -123.5 128.81 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 11.7 t0 88.83 -26.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p 44.3 50.24 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.6 t0 177.67 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.31 -90.6 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -143.3 167.06 23.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 71' ' ' PHE . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 68' ' ' LYS . 24.3 m-70 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 1.7 t-160 -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m -134.47 156.13 49.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.53 -30.72 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.416 ' CE2' HD11 ' A' ' 7' ' ' ILE . 76.4 m95 -47.4 151.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -108.64 -171.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.43 150.99 42.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.33 68.07 2.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -157.08 -47.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 t -63.77 166.54 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -110.33 167.29 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -106.48 114.31 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.28 64.76 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.17 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.81 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.53 18.9 11.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.42 161.52 41.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.76 162.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.3 t -67.9 -46.76 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.7 -44.24 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.462 ' CG1' ' NH2' ' A' ' 120' ' ' ARG . 49.8 t -56.38 -54.59 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.94 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.504 ' CE1' HG12 ' A' ' 7' ' ' ILE . 9.6 t60 -47.34 -57.02 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.07 -48.81 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' NH2' ' CG1' ' A' ' 116' ' ' VAL . 3.3 mtm-85 -51.55 -59.39 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -63.48 -41.07 98.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.471 ' CD1' ' SD ' ' A' ' 121' ' ' MET . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.441 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.3 ttp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.541 0.21 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m 54.65 167.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -53.17 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.68 118.48 26.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.03 26.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.04 142.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -72.78 70.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 35' ' ' MET . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 HD21 ' N ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.573 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.573 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -147.46 131.82 17.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.12 169.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -119.85 43.22 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -102.12 -56.38 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -128.03 113.23 15.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.451 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.525 ' CE1' HG23 ' A' ' 129' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -109.06 173.88 6.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.89 60.48 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 118' ' ' HIS . 45.0 m95 -140.5 177.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -128.24 -169.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 3' ' ' ARG . 5.7 mm100 -45.37 143.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.5 53.99 2.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.82 -46.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.2 p -53.45 175.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 12.7 tttm -124.36 149.37 46.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 49.3 t -79.32 113.17 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 3.0 pt-20 -82.02 62.29 5.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -175.1 -66.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.27 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.93 52.69 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 172.23 156.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -50.48 153.13 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 69.4 m -68.49 -23.54 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.3 -43.67 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.61 -54.16 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.98 -44.45 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 114' ' ' SER . 2.8 t-160 -48.0 -51.92 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.78 -49.62 61.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -50.69 -59.67 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -43.08 95.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.509 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 9.7 t-160 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.525 HG23 ' CE1' ' A' ' 93' ' ' PHE . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.509 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.3 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 33' ' ' TRP . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.554 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.484 0.183 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 m 63.0 154.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -86.35 179.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -94.82 117.08 66.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -91.8 136.09 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 70.3 mt -72.12 61.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.415 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.503 ' HE2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 17.3 t90 -151.23 136.4 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t70 88.93 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 74' ' ' ASP . 67.4 p 46.52 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.21 -52.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.33 36.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -141.25 122.51 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.509 ' CE1' HG23 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m -119.26 174.9 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 54.47 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -139.49 164.8 28.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -113.95 -169.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.91 149.34 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.63 78.52 0.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.89 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.781 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.1 t -47.45 174.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -134.13 156.61 48.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.33 123.47 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 61.01 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -76.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.22 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.15 -55.42 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.53 165.44 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 117' ' ' VAL . 1.4 mt-10 -63.87 170.91 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -70.34 -25.39 63.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.05 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.82 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 113' ' ' GLU . 47.1 t -65.23 -48.3 84.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 114' ' ' SER . 51.9 t60 -50.96 -52.01 46.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.78 -49.49 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.2 -61.62 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -46.49 80.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.472 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.509 HG23 ' CE1' ' A' ' 93' ' ' PHE . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.509 0.195 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 t -41.24 108.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 165.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -86.9 147.15 42.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -178.8 4.39 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.9 141.22 28.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.8 mt -84.93 69.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' CA ' HG23 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' CA ' ' A' ' 74' ' ' ASP . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 63' ' ' VAL . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -98.62 128.65 44.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' THR . 11.4 t70 57.58 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -48.24 -32.31 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -177.38 111.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.36 -92.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -117.68 158.7 24.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 129' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.546 HG13 ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -145.06 157.35 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.98 63.34 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -127.37 -179.78 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -117.34 -169.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.46 ' CG ' HG23 ' A' ' 105' ' ' THR . 15.0 pt20 -59.31 162.12 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.25 70.96 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -173.95 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.741 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 102' ' ' GLN . 1.4 p -45.43 163.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.4 OUTLIER -124.5 150.45 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 67.8 t -82.89 98.58 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.12 62.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -167.08 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.18 -51.32 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.31 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.97 163.08 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 37.8 t -51.21 -35.97 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.96 -47.62 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.36 -47.62 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.437 ' CB ' ' O ' ' A' ' 114' ' ' SER . 4.7 t-80 -48.75 -51.39 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.34 -47.51 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -34.75 69.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.434 HG23 ' CE1' ' A' ' 93' ' ' PHE . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.432 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.429 ' CG1' HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.488 0.185 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -118.06 42.9 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.79 176.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 100' ' ' TRP . 14.3 mt -90.37 151.71 44.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.23 31.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.4 123.98 27.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mt -69.89 73.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 13' ' ' PHE . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 136' ' ' ILE . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' ' CZ2' ' A' ' 73' ' ' TRP . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.593 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.67 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 -117.78 128.08 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' PRO . 20.3 t0 64.73 -175.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.2 p -57.96 -45.52 86.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -177.97 113.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.47 -92.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -107.79 146.07 32.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.67 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.473 HG21 ' CE1' ' A' ' 83' ' ' HIS . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.473 ' CE1' HG21 ' A' ' 81' ' ' THR . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' A' ' 133' ' ' LEU . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -134.04 162.38 32.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.67 49.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.404 ' CB ' HD13 ' A' ' 4' ' ' LEU . 5.6 m95 -127.31 165.59 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -103.05 -160.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -66.05 151.23 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.28 57.64 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.77 -57.61 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -68.17 147.16 52.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -169.61 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.2 t -87.54 136.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -95.19 59.33 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.5 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.43 -71.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.9 -24.7 2.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -75.02 178.89 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.798 . . . . 0.0 109.36 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.75 138.82 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -52.65 -25.54 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.06 -52.21 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.26 -45.11 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.73 -45.4 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.24 67.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -65.21 -49.59 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -63.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -55.2 -42.36 73.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' MET . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.515 HG23 ' CE1' ' A' ' 93' ' ' PHE . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.442 HD22 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.564 HD22 ' CE2' ' A' ' 93' ' ' PHE . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 33' ' ' TRP . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.76 127.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.72 163.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt -124.31 138.57 31.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -101.05 137.03 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.541 HD12 ' CZ2' ' A' ' 100' ' ' TRP . 76.5 mt -75.03 62.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG13 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.585 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.407 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.8 t90 -139.45 129.54 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.88 174.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.5 p -128.57 52.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.28 -39.6 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.47 49.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -135.26 122.69 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m -139.72 173.93 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.66 35.65 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CZ2' HD12 ' A' ' 7' ' ' ILE . 55.7 m95 -101.47 -178.72 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -118.84 -142.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.53 155.42 19.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 47.1 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 37.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -136.64 11.36 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' THR . 9.6 tttm 52.8 174.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.19 121.34 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -87.07 46.2 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -159.1 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.99 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.98 47.7 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 174.45 -173.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -66.52 146.99 53.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 p -66.97 -37.47 84.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.98 97.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.95 -50.18 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.13 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -51.37 -48.25 62.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.14 -48.89 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.86 -62.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -53.35 -45.89 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 133' ' ' LEU . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.4 m 65.08 166.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 63.47 141.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD21 ' CG ' ' A' ' 118' ' ' HIS . 68.8 mt -42.27 116.38 1.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.16 130.33 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 92.3 mt -76.8 59.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CB ' HG22 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HG13 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.567 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.579 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.664 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -151.13 135.88 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 59.85 174.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.1 p -118.49 39.73 3.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -28.03 11.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.87 38.77 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 14.3 m0 -111.13 113.18 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -137.67 171.87 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.49 59.01 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 29.0 m95 -134.66 175.98 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -127.16 -162.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -55.5 170.14 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.53 -45.15 11.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.15 -55.98 26.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -39.07 144.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 111' ' ' GLY . 7.2 ttpt -103.78 158.22 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.88 108.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.85 59.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -162.14 -61.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.88 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.443 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . . . 131.75 -41.16 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.48 156.02 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -53.3 164.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -66.03 -21.9 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.37 -51.71 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.1 -45.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.5 -48.27 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.488 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 15.8 t60 -47.46 -56.76 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.24 -47.32 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -64.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -50.83 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 133' ' ' LEU . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.405 HG13 ' CG2' ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 1' ' ' MET . 14.9 t 49.62 -175.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.82 152.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.84 154.54 50.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 164.97 32.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.0 141.13 45.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt -80.79 66.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' CG1' ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.594 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.401 ' CD1' HG13 ' A' ' 136' ' ' ILE . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.577 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 11.6 t90 -130.13 128.84 42.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 9.5 t0 87.98 -21.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 33.7 p 36.75 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.7 t70 -170.49 34.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.16 -94.15 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -137.76 165.31 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 81' ' ' THR . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 83' ' ' HIS . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CE1' HG21 ' A' ' 81' ' ' THR . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.473 ' CE2' HD23 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 157.81 41.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.85 58.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -137.64 174.39 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -133.98 -156.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.8 pt20 -61.74 140.66 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.89 80.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLN . 3.7 t70 178.12 -50.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.2 p -51.21 101.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -54.98 156.93 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 114' ' ' SER . 46.9 t -87.93 112.69 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.31 52.91 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -165.88 -75.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.57 -58.08 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.08 52.32 0.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 175.77 154.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.58 160.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HA ' ' CG2' ' A' ' 107' ' ' VAL . 5.9 t -70.98 -39.09 72.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.67 97.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.5 t -60.26 -52.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.08 -47.13 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -47.79 -52.99 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -66.14 -50.58 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -49.49 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 93' ' ' PHE . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' CG2' ' A' ' 2' ' ' THR . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 1' ' ' MET . 23.2 p -156.21 111.37 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 55.36 172.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.79 152.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 138.92 23.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -54.78 141.07 34.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 87.4 mt -81.64 61.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.445 ' CB ' HG22 ' A' ' 91' ' ' THR . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HA ' ' N ' ' A' ' 35' ' ' MET . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.518 ' CH2' ' HE2' ' A' ' 35' ' ' MET . 3.1 t90 -121.71 127.02 50.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.15 159.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.3 p -39.45 -46.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.42 112.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.92 -94.84 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -114.49 157.89 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.445 HG22 ' CB ' ' A' ' 17' ' ' ILE . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.429 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 129' ' ' VAL . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 3.3 t-160 -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m -148.37 161.09 42.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.29 -13.34 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -65.98 162.75 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -118.71 -170.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.43 134.37 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.55 58.49 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 -48.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 t -55.37 139.37 43.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -89.25 152.18 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.2 t -86.69 95.49 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -73.21 66.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.21 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.6 -58.17 0.42 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 116' ' ' VAL . . . -86.02 158.22 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -56.98 169.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -66.66 -35.48 80.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.07 25.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.417 ' CG1' ' HB1' ' A' ' 112' ' ' ALA . 24.5 t -51.84 -49.35 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.15 -43.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -48.31 -51.13 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.6 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -65.38 -49.52 68.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -64.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.79 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.491 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t-160 -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 93' ' ' PHE . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.403 HD22 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.434 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 134' ' ' ARG . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 7' ' ' ILE . 53.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.856 HG21 HG22 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.909 HG22 HG11 ' A' ' 137' ' ' VAL . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.567 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD21 ' CE ' ' A' ' 35' ' ' MET . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.835 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.835 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.494 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.74 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.3 t90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 70' ' ' SER . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HG12 ' A' ' 20' ' ' VAL . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.618 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.523 0.201 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.856 HG22 HG21 ' A' ' 11' ' ' VAL . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 129' ' ' VAL . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.909 HG11 HG22 ' A' ' 20' ' ' VAL . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' ILE . 97.5 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.794 HG21 ' O ' ' A' ' 129' ' ' VAL . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.798 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.646 HD12 HG23 ' A' ' 91' ' ' THR . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.042 HG22 HG11 ' A' ' 137' ' ' VAL . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 21' ' ' TRP . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.597 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' N ' HG11 ' A' ' 63' ' ' VAL . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.996 HG23 ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.834 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.834 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.996 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 70' ' ' SER . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 20' ' ' VAL . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 17' ' ' ILE . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.498 ' CE2' HD21 ' A' ' 133' ' ' LEU . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.455 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.555 0.216 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 129' ' ' VAL . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.794 ' O ' HG21 ' A' ' 11' ' ' VAL . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 129' ' ' VAL . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.597 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 20' ' ' VAL . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 7' ' ' ILE . 25.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.939 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.98 HG22 HG11 ' A' ' 137' ' ' VAL . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.612 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.576 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.623 ' O ' HD12 ' A' ' 30' ' ' LEU . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.496 ' CE2' HD13 ' A' ' 133' ' ' LEU . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 49' ' ' LEU . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.407 ' CG2' HG23 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.612 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' HD12 ' A' ' 67' ' ' ILE . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' HG13 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 24' ' ' VAL . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HE2' HG11 ' A' ' 24' ' ' VAL . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.529 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.581 ' O ' HG12 ' A' ' 129' ' ' VAL . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.939 HG22 HG21 ' A' ' 11' ' ' VAL . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.924 HD23 HG23 ' A' ' 129' ' ' VAL . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 32' ' ' PHE . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.98 HG11 HG22 ' A' ' 20' ' ' VAL . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 7' ' ' ILE . 67.6 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' HA ' HG21 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.908 HG22 HG11 ' A' ' 137' ' ' VAL . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' THR . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 22' ' ' GLU . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.72 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 133' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.664 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 30' ' ' LEU . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.699 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 72' ' ' THR . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.029 HG23 HD13 ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.029 HD13 HG23 ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CG2' ' A' ' 61' ' ' THR . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.509 ' NE1' HD23 ' A' ' 49' ' ' LEU . 16.8 t90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.521 0.2 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.543 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.902 HG23 HD23 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.908 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 7' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.934 HG11 ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 66' ' ' PRO . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.002 HG22 HG11 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' HD11 ' A' ' 30' ' ' LEU . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.739 ' O ' HD12 ' A' ' 30' ' ' LEU . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.48 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.685 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.685 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG11 ' CG1' ' A' ' 63' ' ' VAL . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' ILE . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.92 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.502 ' CZ2' ' HE1' ' A' ' 35' ' ' MET . 2.9 t90 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.531 ' CD1' HG21 ' A' ' 129' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.757 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 95' ' ' ILE . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.574 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 1.2 t60 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 33' ' ' TRP . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.934 ' O ' HG11 ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 32' ' ' PHE . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.002 HG11 HG22 ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 129' ' ' VAL . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.709 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.414 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.634 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.482 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.827 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.827 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.862 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 61' ' ' THR . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' HD22 ' A' ' 49' ' ' LEU . 16.0 t90 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 20' ' ' VAL . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.513 ' N ' HD13 ' A' ' 95' ' ' ILE . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.893 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.407 ' ND1' ' HG2' ' A' ' 9' ' ' LYS . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 125' ' ' TRP . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.878 HD23 HG23 ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.821 HG11 HG22 ' A' ' 20' ' ' VAL . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 7' ' ' ILE . 78.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.963 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 91' ' ' THR . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 137' ' ' VAL . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 21' ' ' TRP . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.665 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.899 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.508 ' CG2' HG23 ' A' ' 72' ' ' THR . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.817 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 61' ' ' THR . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.585 ' CZ2' HD21 ' A' ' 49' ' ' LEU . 2.8 t90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 70' ' ' SER . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.412 HG23 HD12 ' A' ' 17' ' ' ILE . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.863 HD12 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.863 ' H ' HD12 ' A' ' 95' ' ' ILE . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.963 ' O ' HG21 ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD21 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.665 HD12 ' CG ' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 20' ' ' VAL . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 7' ' ' ILE . 57.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.966 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.879 HG22 HG11 ' A' ' 137' ' ' VAL . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.729 ' O ' HD23 ' A' ' 39' ' ' LEU . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.437 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.554 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.784 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 72' ' ' THR . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.741 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' CG2' ' A' ' 61' ' ' THR . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.463 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 24' ' ' VAL . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.444 0.164 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 1.0 HG23 HD23 ' A' ' 133' ' ' LEU . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 1.0 HD23 HG23 ' A' ' 129' ' ' VAL . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 20' ' ' VAL . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 7' ' ' ILE . 58.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.956 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.63 HD11 ' HB2' ' A' ' 66' ' ' PRO . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.788 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.743 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.897 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.447 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 37' ' ' ASN . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.892 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.63 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.892 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 81' ' ' THR . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.1 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 70' ' ' SER . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.525 ' HD2' HD23 ' A' ' 69' ' ' LEU . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.447 ' HE2' HG11 ' A' ' 24' ' ' VAL . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.839 HD12 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.839 ' H ' HD12 ' A' ' 95' ' ' ILE . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.462 0.172 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.662 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 33' ' ' TRP . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.956 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.712 HD23 HG23 ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.897 HD12 ' CG ' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.671 HG11 HG22 ' A' ' 20' ' ' VAL . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' ILE . 52.3 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.826 HG22 HG11 ' A' ' 137' ' ' VAL . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 93' ' ' PHE . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.52 ' O ' HD11 ' A' ' 128' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' 35' ' ' MET . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 36' ' ' GLU . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.719 ' CG2' HG23 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.719 HG23 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 9.8 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 20' ' ' VAL . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 129' ' ' VAL . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.68 ' O ' HG12 ' A' ' 129' ' ' VAL . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 8.0 t-160 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 33' ' ' TRP . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 133' ' ' LEU . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.732 HD23 HG23 ' A' ' 129' ' ' VAL . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.614 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.826 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.736 HG21 ' O ' ' A' ' 129' ' ' VAL . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 91' ' ' THR . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' THR . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.508 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.432 ' HE3' HD11 ' A' ' 128' ' ' LEU . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 35' ' ' MET . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 63' ' ' VAL . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.591 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE1' HG13 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 96' ' ' VAL . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 20' ' ' VAL . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.512 HG23 HD12 ' A' ' 17' ' ' ILE . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' HG11 ' A' ' 24' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 80' ' ' VAL . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.504 0.192 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 33' ' ' TRP . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.736 ' O ' HG21 ' A' ' 11' ' ' VAL . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.495 HD23 HG23 ' A' ' 129' ' ' VAL . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.659 HD12 ' CG ' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.927 HG11 HG22 ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.8 HG21 ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.771 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 30' ' ' LEU . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.61 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.542 ' O ' HD11 ' A' ' 128' ' ' LEU . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 30' ' ' LEU . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 72' ' ' THR . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 81' ' ' THR . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 61' ' ' THR . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.521 ' CE2' HD22 ' A' ' 49' ' ' LEU . 15.2 t90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 96' ' ' VAL . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 70' ' ' SER . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 HG12 ' A' ' 20' ' ' VAL . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HE2' HG11 ' A' ' 24' ' ' VAL . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 80' ' ' VAL . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.522 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 33' ' ' TRP . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.8 ' O ' HG21 ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 129' ' ' VAL . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 7' ' ' ILE . 36.4 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.852 HG11 ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.096 HG22 HG11 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 93' ' ' PHE . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 30' ' ' LEU . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.512 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD11 ' A' ' 49' ' ' LEU . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 63' ' ' VAL . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.679 ' CG2' HG23 ' A' ' 72' ' ' THR . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.539 ' CB ' HG23 ' A' ' 81' ' ' THR . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.679 HG23 ' CG2' ' A' ' 61' ' ' THR . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' CB ' ' A' ' 70' ' ' SER . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.674 ' HE2' HG11 ' A' ' 24' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' N ' HD13 ' A' ' 95' ' ' ILE . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.518 0.199 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.535 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.852 ' O ' HG11 ' A' ' 11' ' ' VAL . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 129' ' ' VAL . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.096 HG11 HG22 ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 7' ' ' ILE . 70.3 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HE2' HD23 ' A' ' 133' ' ' LEU . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 66' ' ' PRO . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG11 ' A' ' 137' ' ' VAL . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' OE2' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' TRP . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.484 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 72' ' ' THR . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.829 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.631 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.829 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 81' ' ' THR . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 ' CG2' ' A' ' 61' ' ' THR . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.464 ' NE1' HD23 ' A' ' 49' ' ' LEU . 17.3 t90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 92' ' ' ILE . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CE1' HG21 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.498 0.19 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.606 ' HA ' HG12 ' A' ' 129' ' ' VAL . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 33' ' ' TRP . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.841 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.015 HG11 HG22 ' A' ' 20' ' ' VAL . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.522 HG23 ' OD2' ' A' ' 122' ' ' ASP . 81.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.908 HG21 HG22 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.82 HG22 HG11 ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 20' ' ' VAL . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 39' ' ' LEU . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.404 ' HE3' HD11 ' A' ' 128' ' ' LEU . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 36' ' ' GLU . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 41' ' ' ALA . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 96' ' ' VAL . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD21 HG12 ' A' ' 20' ' ' VAL . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.465 HG23 HD12 ' A' ' 17' ' ' ILE . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.648 ' HE2' HG11 ' A' ' 24' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.77 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 80' ' ' VAL . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.534 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.474 0.178 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' A' ' 7' ' ' ILE . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HE3' ' A' ' 33' ' ' TRP . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.908 HG22 HG21 ' A' ' 11' ' ' VAL . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.755 HD23 HG23 ' A' ' 129' ' ' VAL . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.82 HG11 HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' OD1' ' A' ' 122' ' ' ASP . 50.2 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.125 HG22 HG11 ' A' ' 137' ' ' VAL . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' HD23 ' A' ' 39' ' ' LEU . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.912 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.625 ' O ' HD11 ' A' ' 128' ' ' LEU . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.821 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.912 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.408 ' CE1' ' CB ' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 37' ' ' ASN . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.919 HG23 ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.919 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.496 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.866 ' CE2' HG13 ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.55 HG23 ' CG2' ' A' ' 61' ' ' THR . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.866 HG13 ' CE2' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 70' ' ' SER . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 20' ' ' VAL . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.46 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.781 ' OD1' HG23 ' A' ' 7' ' ' ILE . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.664 ' O ' HG12 ' A' ' 129' ' ' VAL . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.625 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.713 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 129' ' ' VAL . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 32' ' ' PHE . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.125 HG11 HG22 ' A' ' 20' ' ' VAL . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' ILE . 76.5 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' HE2' HD23 ' A' ' 133' ' ' LEU . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.506 HD12 HG23 ' A' ' 91' ' ' THR . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.625 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 84' ' ' LEU . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HA ' ' C ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.694 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.438 ' O ' HD11 ' A' ' 128' ' ' LEU . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 49' ' ' LEU . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 30' ' ' LEU . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG11 ' CG1' ' A' ' 63' ' ' VAL . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.953 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.953 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.731 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG13 ' A' ' 80' ' ' VAL . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.8 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 HG21 ' A' ' 24' ' ' VAL . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.506 HG23 HD12 ' A' ' 17' ' ' ILE . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.843 ' CE2' HD21 ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.621 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.531 0.205 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.489 ' HA ' HG12 ' A' ' 129' ' ' VAL . 17.3 t60 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.814 ' O ' HG21 ' A' ' 11' ' ' VAL . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.843 HD21 ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.694 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 7' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.869 HG11 ' O ' ' A' ' 129' ' ' VAL . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.055 HG22 HG11 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 20' ' ' VAL . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 93' ' ' PHE . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.469 ' HE3' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.812 ' CE2' HG13 ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.3 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.812 HG13 ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 70' ' ' SER . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.431 HG23 HD12 ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE2' HG11 ' A' ' 24' ' ' VAL . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 7' ' ' ILE . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.587 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 33' ' ' TRP . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.869 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.055 HG11 HG22 ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG11 ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 30' ' ' LEU . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.437 ' CE2' HD13 ' A' ' 133' ' ' LEU . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD22 ' NE1' ' A' ' 73' ' ' TRP . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 63' ' ' VAL . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.727 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.592 ' NE1' HD22 ' A' ' 49' ' ' LEU . 11.6 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.43 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.519 0.199 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.652 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 33' ' ' TRP . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.849 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.753 HD23 HG23 ' A' ' 129' ' ' VAL . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 137' ' ' VAL . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.012 HG11 HG22 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 7' ' ' ILE . 87.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.891 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.023 HG22 HG11 ' A' ' 137' ' ' VAL . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.736 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.441 ' O ' HD11 ' A' ' 128' ' ' LEU . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 34' ' ' PHE . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.761 ' CG2' HG23 ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG21 ' HA ' ' A' ' 41' ' ' ALA . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.893 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.893 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.834 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.716 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.1 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 70' ' ' SER . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 133' ' ' LEU . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.588 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.529 ' CE1' ' HD2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 33' ' ' TRP . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.891 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.646 HD23 HG23 ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.582 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.736 HD12 ' CG ' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 1.023 HG11 HG22 ' A' ' 20' ' ' VAL . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.508 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -154.87 35.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.06 174.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.26 153.26 53.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 148.96 35.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.1 167.33 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 7' ' ' ILE . 53.5 mt -108.26 80.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.856 HG21 HG22 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.909 HG22 HG11 ' A' ' 137' ' ' VAL . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.567 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD21 ' CE ' ' A' ' 35' ' ' MET . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.835 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.835 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.494 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.74 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.443 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 14.3 t90 -152.54 128.84 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 77.61 171.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.6 p -104.17 -34.92 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -40.44 -64.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.96 65.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -125.54 110.3 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 70' ' ' SER . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HG12 ' A' ' 20' ' ' VAL . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.618 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -130.44 160.25 34.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.0 53.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -124.42 170.32 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -118.2 -171.88 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -50.81 145.81 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.75 78.73 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.54 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -63.22 121.32 13.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -79.01 153.3 30.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.83 120.96 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -78.91 -25.41 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.17 -75.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.07 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 144.71 -63.67 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.53 166.71 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 117' ' ' VAL . 2.6 mt-10 -54.53 159.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.34 -45.45 80.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.19 74.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.41 -52.8 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 113' ' ' GLU . 70.3 t -60.62 -39.3 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -54.24 -53.18 57.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.71 -45.62 93.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -60.11 -56.12 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -50.04 74.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.856 HG22 HG21 ' A' ' 11' ' ' VAL . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 129' ' ' VAL . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.909 HG11 HG22 ' A' ' 20' ' ' VAL . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.502 0.191 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 3' ' ' ARG . 19.9 p -145.82 -173.06 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' THR . 8.5 ptt85 45.8 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 101' ' ' LYS . 4.3 mt -140.71 144.27 35.4 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 160.92 20.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' ILE . 97.5 mt -100.7 63.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.794 HG21 ' O ' ' A' ' 129' ' ' VAL . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.798 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.646 HD12 HG23 ' A' ' 91' ' ' THR . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.042 HG22 HG11 ' A' ' 137' ' ' VAL . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 21' ' ' TRP . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.597 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' N ' HG11 ' A' ' 63' ' ' VAL . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.996 HG23 ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.834 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.834 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.996 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -104.77 129.34 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.73 170.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -43.75 -41.14 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -176.5 113.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.23 -88.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -115.71 163.55 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 70' ' ' SER . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 20' ' ' VAL . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 17' ' ' ILE . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.498 ' CE2' HD21 ' A' ' 133' ' ' LEU . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.455 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -144.7 167.82 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.38 40.4 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -104.83 -178.5 3.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 4' ' ' LEU . 26.6 mtpt -119.45 -155.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -79.74 157.42 27.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.7 50.32 4.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -140.96 -48.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 t -66.24 163.74 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -113.63 158.43 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.86 112.07 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.37 64.19 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.1 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.49 42.42 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 116' ' ' VAL . . . -173.68 156.25 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -46.22 154.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -44.51 95.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.83 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 112' ' ' ALA . 4.1 t -51.18 -52.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -61.81 -37.38 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.549 ' CE1' HG13 ' A' ' 7' ' ' ILE . 16.2 t60 -58.47 -51.9 67.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.553 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.52 -41.41 96.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -59.65 -64.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -39.3 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 129' ' ' VAL . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.794 ' O ' HG21 ' A' ' 11' ' ' VAL . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 129' ' ' VAL . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.597 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 20' ' ' VAL . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.3 p -140.68 155.26 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -176.91 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HG ' ' CA ' ' A' ' 103' ' ' GLY . 47.4 mt -77.63 114.49 41.52 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.77 32.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 123.03 17.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.524 HD12 ' CZ2' ' A' ' 100' ' ' TRP . 25.2 mt -62.77 89.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.939 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.98 HG22 HG11 ' A' ' 137' ' ' VAL . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.612 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.576 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.623 ' O ' HD12 ' A' ' 30' ' ' LEU . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.496 ' CE2' HD13 ' A' ' 133' ' ' LEU . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 49' ' ' LEU . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 ' CG2' HG23 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.612 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' HD12 ' A' ' 67' ' ' ILE . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' HG13 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 -143.08 131.94 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' OD1' ' CD1' ' A' ' 73' ' ' TRP . 17.1 m-20 66.71 154.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.8 p -108.45 44.48 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -102.27 -45.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.97 45.39 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -126.83 130.1 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 24' ' ' VAL . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HE2' HG11 ' A' ' 24' ' ' VAL . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -133.64 171.57 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.18 42.77 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.524 ' CZ2' HD12 ' A' ' 7' ' ' ILE . 6.7 m95 -121.46 178.73 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -127.37 -164.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -54.46 137.93 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' CA ' ' HG ' ' A' ' 4' ' ' LEU . . . -69.94 80.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 179.13 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.8 p -50.37 168.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -120.51 151.96 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 110' ' ' ALA . 17.4 t -102.46 97.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -48.86 -25.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 45.33 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . . . -160.24 -69.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.9 -30.15 4.93 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.9 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.88 152.92 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -25.73 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.24 -40.72 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.73 -43.57 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.49 -36.21 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.14 -53.16 60.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.88 -43.4 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.33 -64.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -44.32 81.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.581 ' O ' HG12 ' A' ' 129' ' ' VAL . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.939 HG22 HG21 ' A' ' 11' ' ' VAL . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.924 HD23 HG23 ' A' ' 129' ' ' VAL . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 32' ' ' PHE . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.98 HG11 HG22 ' A' ' 20' ' ' VAL . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p 45.3 92.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.54 145.18 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -109.75 104.19 54.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 146.53 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 7' ' ' ILE . 67.6 mt -91.51 61.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' HA ' HG21 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.908 HG22 HG11 ' A' ' 137' ' ' VAL . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' THR . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 22' ' ' GLU . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.72 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 133' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.664 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 30' ' ' LEU . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.699 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 72' ' ' THR . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.029 HG23 HD13 ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.029 HD13 HG23 ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CG2' ' A' ' 61' ' ' THR . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.509 ' NE1' HD23 ' A' ' 49' ' ' LEU . 16.8 t90 -144.48 130.23 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 4.6 t70 75.05 -177.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 p -134.12 23.69 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.387 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.96 -43.99 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.74 48.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.67 129.45 49.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m -120.95 165.25 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.09 50.67 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -133.32 150.57 51.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -117.75 -167.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 103' ' ' GLY . 24.2 tt0 -49.38 154.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.687 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -83.88 76.98 2.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.26 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -61.48 88.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -44.3 150.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 108' ' ' GLU . 21.2 t -93.39 166.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' HG12 ' A' ' 107' ' ' VAL . 6.8 tt0 -103.01 -53.59 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.51 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.02 -39.49 1.32 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -84.94 174.7 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -55.97 158.84 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.95 -36.97 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.83 85.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.1 t -62.72 -54.79 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.6 -44.07 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.44 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 64.5 t60 -47.39 -52.48 16.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.96 -48.93 64.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -64.92 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -49.66 70.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.543 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.902 HG23 HD23 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.908 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.538 0.209 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.596 HG23 ' N ' ' A' ' 3' ' ' ARG . 6.3 t -169.72 -156.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 2' ' ' THR . 3.8 mtm180 63.24 177.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD21 ' HA2' ' A' ' 103' ' ' GLY . 35.1 mt -53.55 154.96 5.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.81 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -68.27 136.22 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 7' ' ' ILE . 61.2 mt -78.15 67.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.934 HG11 ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 66' ' ' PRO . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.002 HG22 HG11 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' HD11 ' A' ' 30' ' ' LEU . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.739 ' O ' HD12 ' A' ' 30' ' ' LEU . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.48 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.685 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.685 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG11 ' CG1' ' A' ' 63' ' ' VAL . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' ILE . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.92 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.502 ' CZ2' ' HE1' ' A' ' 35' ' ' MET . 2.9 t90 -106.94 127.97 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.96 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -52.49 -54.8 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -164.35 111.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.46 -84.81 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -120.83 158.7 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.531 ' CD1' HG21 ' A' ' 129' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.757 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 95' ' ' ILE . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -152.35 165.42 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.8 49.82 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -111.83 179.97 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB3' HG21 ' A' ' 105' ' ' THR . 34.1 mttt -102.94 -170.21 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 139.68 28.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA2' HD21 ' A' ' 4' ' ' LEU . . . -69.13 59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.566 1.166 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.93 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 101' ' ' LYS . 5.8 t -55.46 172.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -114.59 152.28 32.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 114' ' ' SER . 99.9 t -75.46 138.33 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -90.89 33.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.3 tttp -164.71 37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 109' ' ' LYS . . . 171.99 117.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.65 -31.07 1.01 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -75.68 154.05 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.69 159.92 22.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.577 ' N ' HG23 ' A' ' 107' ' ' VAL . 12.8 t -53.02 -47.14 68.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.76 93.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.77 -48.56 85.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.54 -48.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' A' ' 7' ' ' ILE . 1.1 t-80 -47.3 -54.27 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.91 -44.88 96.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -65.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -35.2 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.574 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 1.2 t60 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 33' ' ' TRP . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.934 ' O ' HG11 ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 32' ' ' PHE . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.002 HG11 HG22 ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 3' ' ' ARG . 9.4 t -70.26 -160.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 2' ' ' THR . 3.0 ptt180 -51.58 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt -53.54 113.69 5.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.03 33.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -40.73 114.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.593 HD11 ' CD2' ' A' ' 118' ' ' HIS . 72.4 mt -57.55 90.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 129' ' ' VAL . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.709 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.414 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.634 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.482 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.827 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.827 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.862 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 61' ' ' THR . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' HD22 ' A' ' 49' ' ' LEU . 16.0 t90 -143.82 131.62 21.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.82 166.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -120.78 55.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -46.02 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.84 47.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 99' ' ' GLY . 14.0 m0 -131.08 111.93 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 20' ' ' VAL . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' N ' HD13 ' A' ' 95' ' ' ILE . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -125.56 155.29 40.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 78' ' ' TRP . . . 123.28 54.42 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -126.36 175.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.32 -161.56 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.625 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -56.88 153.01 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.87 43.12 3.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.38 35.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 102' ' ' GLN . 5.1 t -126.07 -178.77 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 105' ' ' THR . 7.0 ttpp -128.43 154.59 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 110' ' ' ALA . 21.4 t -101.45 103.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -26.31 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -93.02 30.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . . . -176.51 113.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.5 -25.47 2.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.08 171.73 11.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 117' ' ' VAL . 17.4 mt-10 -97.65 168.43 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -68.52 -47.08 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.53 -37.11 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.04 -53.95 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 113' ' ' GLU . 97.2 t -61.07 -33.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.593 ' CD2' HD11 ' A' ' 7' ' ' ILE . 5.5 t-80 -63.61 -52.37 61.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.69 -40.53 92.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -64.66 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm -63.2 -46.33 87.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.893 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.407 ' ND1' ' HG2' ' A' ' 9' ' ' LYS . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 125' ' ' TRP . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.878 HD23 HG23 ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.821 HG11 HG22 ' A' ' 20' ' ' VAL . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.478 0.18 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -107.32 -178.76 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 62.87 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.25 123.0 73.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.58 1.831 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.25 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 7' ' ' ILE . 78.1 mt -87.83 66.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.963 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 91' ' ' THR . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 137' ' ' VAL . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 21' ' ' TRP . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.665 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.899 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.508 ' CG2' HG23 ' A' ' 72' ' ' THR . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.817 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 61' ' ' THR . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.585 ' CZ2' HD21 ' A' ' 49' ' ' LEU . 2.8 t90 -121.55 128.12 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.53 170.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -47.53 -42.87 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -178.34 115.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.44 -93.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.95 158.46 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 70' ' ' SER . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.412 HG23 HD12 ' A' ' 17' ' ' ILE . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.863 HD12 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.863 ' H ' HD12 ' A' ' 95' ' ' ILE . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -127.58 167.84 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.65 53.05 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -126.33 163.17 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -107.23 -169.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -53.72 147.79 11.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.45 60.62 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.37 -46.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t -59.82 168.67 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -114.54 148.39 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 47.6 t -80.36 112.07 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -18.72 54.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 6.1 tttt -104.33 39.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 109' ' ' LYS . . . 164.42 112.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.67 -32.5 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.63 156.16 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 116' ' ' VAL . 1.4 mt-10 -82.89 159.58 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.9 p -58.72 -32.41 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.47 -48.0 36.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 113' ' ' GLU . 68.3 t -58.46 -47.71 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.64 -35.88 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.4 OUTLIER -57.81 -53.55 56.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.51 -48.58 76.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -52.35 -54.45 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt -69.04 -47.4 65.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.963 ' O ' HG21 ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD21 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.665 HD12 ' CG ' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 20' ' ' VAL . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.468 0.175 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 m 63.29 126.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 173.03 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.67 116.91 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 145.82 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 7' ' ' ILE . 57.7 mt -84.36 61.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.966 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.879 HG22 HG11 ' A' ' 137' ' ' VAL . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.729 ' O ' HD23 ' A' ' 39' ' ' LEU . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.437 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.554 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.784 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 72' ' ' THR . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.741 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' CG2' ' A' ' 61' ' ' THR . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.463 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 -151.91 129.22 11.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 69.83 149.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -103.15 45.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.91 -64.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.32 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -124.74 115.81 21.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 24' ' ' VAL . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m -130.49 163.59 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.47 31.13 2.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.463 ' NE1' HD12 ' A' ' 7' ' ' ILE . 95.8 m95 -104.08 -179.37 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -124.16 -141.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -95.28 165.69 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.38 27.93 12.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.46 26.56 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 t -137.6 -172.98 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -137.77 157.55 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.98 148.88 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -110.94 44.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -155.51 -62.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -72.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 151.23 -50.72 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.17 174.07 8.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.11 166.27 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -67.04 -36.41 82.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.26 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -54.51 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.32 -51.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 7' ' ' ILE . 19.1 t-80 -47.61 -56.19 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.17 -50.53 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -61.63 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -46.25 79.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 1.0 HG23 HD23 ' A' ' 133' ' ' LEU . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 1.0 HD23 HG23 ' A' ' 129' ' ' VAL . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 20' ' ' VAL . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.669 ' O ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.488 0.185 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 1' ' ' MET . 14.7 t 47.91 -166.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -173.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.56 141.37 95.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.84 40.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.85 135.62 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 7' ' ' ILE . 58.3 mt -73.76 68.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.956 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.63 HD11 ' HB2' ' A' ' 66' ' ' PRO . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.788 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.743 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.897 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.447 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 37' ' ' ASN . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.892 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.63 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.892 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 81' ' ' THR . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.1 t90 -151.65 130.66 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 1.9 t70 78.77 169.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 p -122.48 51.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.21 -65.14 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.59 42.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 11.1 m0 -116.06 110.13 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 70' ' ' SER . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.525 ' HD2' HD23 ' A' ' 69' ' ' LEU . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.447 ' HE2' HG11 ' A' ' 24' ' ' VAL . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.839 HD12 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.839 ' H ' HD12 ' A' ' 95' ' ' ILE . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m -141.1 173.08 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.72 50.31 0.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 87.9 m95 -117.66 -178.0 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.16 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' ASP . 13.7 pt20 -56.76 135.77 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.75 71.34 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLN . 8.7 t0 -170.52 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -61.2 -177.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -129.12 151.98 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.512 HG21 HG11 ' A' ' 117' ' ' VAL . 22.0 t -99.04 127.65 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -79.27 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.72 -65.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.58 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 99.33 67.11 0.86 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 172.45 154.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.04 152.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.7 p -66.35 -32.28 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.89 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.72 -53.08 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 107' ' ' VAL . 1.2 p -58.58 -39.7 76.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 t-80 -58.73 -50.67 73.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.24 -39.87 94.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -60.36 -57.54 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -43.14 79.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.662 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 33' ' ' TRP . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.956 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.712 HD23 HG23 ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.897 HD12 ' CG ' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.671 HG11 HG22 ' A' ' 20' ' ' VAL . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.552 0.215 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.743 HG22 ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 177.53 162.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 102' ' ' GLN . 3.5 mpt_? -43.21 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 23.3 mt -43.84 115.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.58 42.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 145.53 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' ILE . 52.3 mt -72.68 72.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.826 HG22 HG11 ' A' ' 137' ' ' VAL . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 93' ' ' PHE . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.52 ' O ' HD11 ' A' ' 128' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' 35' ' ' MET . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 36' ' ' GLU . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.719 ' CG2' HG23 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.719 HG23 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.492 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 9.8 t90 -147.94 128.79 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' CG ' ' CD1' ' A' ' 73' ' ' TRP . 6.3 m-20 63.84 160.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.4 t -111.77 46.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -20.12 13.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.02 31.1 2.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -107.91 133.01 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 20' ' ' VAL . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 129' ' ' VAL . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m -116.35 157.85 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.42 59.78 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -137.43 171.0 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -114.04 -173.35 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 3' ' ' ARG . 1.4 pt20 -56.24 142.72 36.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.89 82.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER 175.64 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.9 p -38.56 149.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -98.5 162.93 12.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.78 146.21 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -111.7 53.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.683 ' O ' ' HB3' ' A' ' 112' ' ' ALA . . . 122.67 121.15 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 111' ' ' GLY . . . 84.24 157.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -38.36 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.75 69.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 36.1 t -75.48 -48.75 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 111' ' ' GLY . 15.2 t -64.79 -42.33 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 t-80 -49.66 -54.34 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.01 -48.82 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -58.45 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm -55.51 -40.39 71.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.68 ' O ' HG12 ' A' ' 129' ' ' VAL . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 8.0 t-160 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 33' ' ' TRP . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 133' ' ' LEU . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.732 HD23 HG23 ' A' ' 129' ' ' VAL . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.614 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.826 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.527 0.204 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.39 117.23 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 -172.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 101' ' ' LYS . 42.1 mt -106.15 116.8 58.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 139.63 30.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.93 65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.736 HG21 ' O ' ' A' ' 129' ' ' VAL . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 91' ' ' THR . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' THR . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.508 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.432 ' HE3' HD11 ' A' ' 128' ' ' LEU . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 35' ' ' MET . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 63' ' ' VAL . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.591 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE1' HG13 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -137.16 128.81 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 171.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.1 p -124.27 63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -44.08 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.44 56.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -140.83 109.5 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 96' ' ' VAL . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 20' ' ' VAL . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.512 HG23 HD12 ' A' ' 17' ' ' ILE . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' HG11 ' A' ' 24' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 80' ' ' VAL . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m -137.14 171.92 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.61 41.26 2.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.435 ' HH2' HG12 ' A' ' 117' ' ' VAL . 43.7 m95 -116.57 164.46 14.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 4' ' ' LEU . 83.4 mttt -109.6 -175.74 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.14 162.89 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.63 46.18 3.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -129.07 -45.71 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 t -64.03 164.77 10.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -110.63 158.49 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 110' ' ' ALA . 39.0 t -104.22 73.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -46.12 -37.58 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -47.85 70.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.599 ' H ' HG12 ' A' ' 107' ' ' VAL . . . -84.42 -57.86 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.0 36.4 1.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.73 159.25 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 116' ' ' VAL . 2.0 mm-40 -56.1 149.57 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -35.3 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.12 76.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.664 HG23 ' HB2' ' A' ' 113' ' ' GLU . 87.1 t -60.04 -51.76 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.435 HG12 ' HH2' ' A' ' 100' ' ' TRP . 77.3 t -62.43 -43.03 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -48.09 -54.3 13.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.543 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.38 -50.77 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -51.56 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -59.58 -46.73 88.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 33' ' ' TRP . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.736 ' O ' HG21 ' A' ' 11' ' ' VAL . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.495 HD23 HG23 ' A' ' 129' ' ' VAL . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.659 HD12 ' CG ' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.927 HG11 HG22 ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.455 0.169 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p 44.04 -167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.92 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 101' ' ' LYS . 11.0 mt -95.68 137.88 21.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.51 29.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -71.93 131.92 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.429 HD11 ' CD2' ' A' ' 118' ' ' HIS . 11.0 mt -70.98 63.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.8 HG21 ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.771 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 30' ' ' LEU . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.61 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.542 ' O ' HD11 ' A' ' 128' ' ' LEU . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 30' ' ' LEU . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 72' ' ' THR . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 81' ' ' THR . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 61' ' ' THR . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 15.2 t90 -123.5 128.81 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 11.7 t0 88.83 -26.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p 44.3 50.24 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.6 t0 177.67 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.31 -90.6 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -143.3 167.06 23.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 96' ' ' VAL . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 70' ' ' SER . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 HG12 ' A' ' 20' ' ' VAL . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HE2' HG11 ' A' ' 24' ' ' VAL . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 80' ' ' VAL . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 1.7 t-160 -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m -134.47 156.13 49.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.53 -30.72 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -47.4 151.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 4' ' ' LEU . 25.6 mttp -108.64 -171.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.43 150.99 42.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 4' ' ' LEU . . . -78.33 68.07 2.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -157.08 -47.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 t -63.77 166.54 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -110.33 167.29 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -106.48 114.31 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.28 64.76 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.17 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.81 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.53 18.9 11.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.42 161.52 41.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -49.76 162.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.3 t -67.9 -46.76 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.7 -44.24 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.462 ' CG1' ' NH2' ' A' ' 120' ' ' ARG . 49.8 t -56.38 -54.59 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 113' ' ' GLU . 63.3 t -61.94 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.429 ' CD2' HD11 ' A' ' 7' ' ' ILE . 3.4 t-80 -47.34 -57.02 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.07 -48.81 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' NH2' ' CG1' ' A' ' 116' ' ' VAL . 3.3 mtm-85 -51.55 -59.39 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -63.48 -41.07 98.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.522 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 33' ' ' TRP . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.8 ' O ' HG21 ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 129' ' ' VAL . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.3 ttp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.541 0.21 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 3' ' ' ARG . 54.8 m 54.65 167.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' N ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -53.17 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.68 118.48 26.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.03 26.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.04 142.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 7' ' ' ILE . 36.4 mt -72.78 70.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.852 HG11 ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.096 HG22 HG11 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 93' ' ' PHE . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 30' ' ' LEU . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.512 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD11 ' A' ' 49' ' ' LEU . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 63' ' ' VAL . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.679 ' CG2' HG23 ' A' ' 72' ' ' THR . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.539 ' CB ' HG23 ' A' ' 81' ' ' THR . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.679 HG23 ' CG2' ' A' ' 61' ' ' THR . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -147.46 131.82 17.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.12 169.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -119.85 43.22 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -102.12 -56.38 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -128.03 113.23 15.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' CB ' ' A' ' 70' ' ' SER . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.674 ' HE2' HG11 ' A' ' 24' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' N ' HD13 ' A' ' 95' ' ' ILE . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -109.06 173.88 6.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.89 60.48 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 118' ' ' HIS . 45.0 m95 -140.5 177.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -128.24 -169.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HA ' ' CB ' ' A' ' 3' ' ' ARG . 5.7 mm100 -45.37 143.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.5 53.99 2.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.82 -46.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.2 p -53.45 175.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 12.7 tttm -124.36 149.37 46.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 49.3 t -79.32 113.17 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 3.0 pt-20 -82.02 62.29 5.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -175.1 -66.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.27 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 118.93 52.69 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 172.23 156.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . 26.7 mt-10 -50.48 153.13 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 69.4 m -68.49 -23.54 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.3 -43.67 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.61 -54.16 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' GLU . 16.3 t -63.98 -44.45 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 114' ' ' SER . 2.8 t-160 -48.0 -51.92 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.78 -49.62 61.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -50.69 -59.67 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -43.08 95.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.535 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.852 ' O ' HG11 ' A' ' 11' ' ' VAL . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 129' ' ' VAL . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.096 HG11 HG22 ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.484 0.183 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 m 63.0 154.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -86.35 179.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 101' ' ' LYS . 11.9 mt -94.82 117.08 66.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -91.8 136.09 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 7' ' ' ILE . 70.3 mt -72.12 61.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HE2' HD23 ' A' ' 133' ' ' LEU . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 66' ' ' PRO . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG11 ' A' ' 137' ' ' VAL . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' OE2' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' TRP . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.484 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 72' ' ' THR . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.829 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.631 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.829 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 81' ' ' THR . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 ' CG2' ' A' ' 61' ' ' THR . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 17.3 t90 -151.23 136.4 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t70 88.93 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 74' ' ' ASP . 67.4 p 46.52 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.21 -52.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.33 36.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -141.25 122.51 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 92' ' ' ILE . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CE1' HG21 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m -119.26 174.9 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 54.47 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -139.49 164.8 28.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 4' ' ' LEU . 16.9 mttt -113.95 -169.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.91 149.34 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -73.63 78.52 0.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.89 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.781 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.1 t -47.45 174.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -134.13 156.61 48.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.33 123.47 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 61.01 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -76.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.22 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.15 -55.42 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.53 165.44 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 117' ' ' VAL . 1.4 mt-10 -63.87 170.91 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -70.34 -25.39 63.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.05 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.82 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 113' ' ' GLU . 47.1 t -65.23 -48.3 84.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 114' ' ' SER . 27.9 t-80 -50.96 -52.01 46.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.78 -49.49 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.2 -61.62 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -46.49 80.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.606 ' HA ' HG12 ' A' ' 129' ' ' VAL . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 33' ' ' TRP . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.841 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.015 HG11 HG22 ' A' ' 20' ' ' VAL . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.509 0.195 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 2' ' ' THR . 7.8 t -41.24 108.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 165.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.1 mt -86.9 147.15 42.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.92 -178.8 4.39 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.9 141.22 28.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 HG23 ' OD2' ' A' ' 122' ' ' ASP . 81.8 mt -84.93 69.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.908 HG21 HG22 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.82 HG22 HG11 ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 20' ' ' VAL . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 39' ' ' LEU . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.404 ' HE3' HD11 ' A' ' 128' ' ' LEU . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 36' ' ' GLU . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' CA ' ' A' ' 74' ' ' ASP . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 41' ' ' ALA . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -98.62 128.65 44.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.582 ' OD1' HG22 ' A' ' 75' ' ' THR . 11.4 t70 57.58 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.582 HG22 ' OD1' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -48.24 -32.31 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -177.38 111.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.36 -92.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -117.68 158.7 24.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 96' ' ' VAL . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD21 HG12 ' A' ' 20' ' ' VAL . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.465 HG23 HD12 ' A' ' 17' ' ' ILE . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.648 ' HE2' HG11 ' A' ' 24' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.77 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 80' ' ' VAL . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.534 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -145.06 157.35 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.98 63.34 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -127.37 -179.78 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -117.34 -169.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -59.31 162.12 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.25 70.96 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -173.95 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.741 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 p -45.43 163.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.4 OUTLIER -124.5 150.45 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 67.8 t -82.89 98.58 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.12 62.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -167.08 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.18 -51.32 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 116' ' ' VAL . . . -65.07 166.31 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.97 163.08 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 37.8 t -51.21 -35.97 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.417 ' CG1' ' HB1' ' A' ' 112' ' ' ALA . 73.7 t -56.96 -47.62 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.36 -47.62 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.437 ' CB ' ' O ' ' A' ' 114' ' ' SER . 10.8 t60 -48.75 -51.39 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.34 -47.51 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -34.75 69.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' A' ' 7' ' ' ILE . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HE3' ' A' ' 33' ' ' TRP . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.908 HG22 HG21 ' A' ' 11' ' ' VAL . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.755 HD23 HG23 ' A' ' 129' ' ' VAL . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.82 HG11 HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.488 0.185 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -118.06 42.9 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.79 176.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 101' ' ' LYS . 14.3 mt -90.37 151.71 44.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.23 31.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.4 123.98 27.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' OD1' ' A' ' 122' ' ' ASP . 50.2 mt -69.89 73.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.125 HG22 HG11 ' A' ' 137' ' ' VAL . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' HD23 ' A' ' 39' ' ' LEU . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.912 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.625 ' O ' HD11 ' A' ' 128' ' ' LEU . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.821 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.912 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.408 ' CE1' ' CB ' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 37' ' ' ASN . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.919 HG23 ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.919 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.496 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.866 ' CE2' HG13 ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.55 HG23 ' CG2' ' A' ' 61' ' ' THR . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 -117.78 128.08 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' PRO . 20.3 t0 64.73 -175.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.2 p -57.96 -45.52 86.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -177.97 113.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.47 -92.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -107.79 146.07 32.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.866 HG13 ' CE2' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 70' ' ' SER . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 20' ' ' VAL . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -134.04 162.38 32.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.67 49.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -127.31 165.59 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.9 mttt -103.05 -160.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -66.05 151.23 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.28 57.64 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.77 -57.61 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -68.17 147.16 52.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -169.61 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 112' ' ' ALA . 22.2 t -87.54 136.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -95.19 59.33 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.5 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.43 -71.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.9 -24.7 2.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 107' ' ' VAL . . . -75.02 178.89 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.798 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.75 138.82 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -52.65 -25.54 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.06 -52.21 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.26 -45.11 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.73 -45.4 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.24 67.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -65.21 -49.59 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -63.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -55.2 -42.36 73.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.781 ' OD1' HG23 ' A' ' 7' ' ' ILE . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.664 ' O ' HG12 ' A' ' 129' ' ' VAL . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.625 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.713 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 129' ' ' VAL . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 32' ' ' PHE . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.125 HG11 HG22 ' A' ' 20' ' ' VAL . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.76 127.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.72 163.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.4 mt -124.31 138.57 31.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -101.05 137.03 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' ILE . 76.5 mt -75.03 62.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' HE2' HD23 ' A' ' 133' ' ' LEU . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.506 HD12 HG23 ' A' ' 91' ' ' THR . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.625 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 84' ' ' LEU . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HA ' ' C ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.694 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.438 ' O ' HD11 ' A' ' 128' ' ' LEU . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 49' ' ' LEU . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 30' ' ' LEU . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG11 ' CG1' ' A' ' 63' ' ' VAL . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.953 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.953 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.731 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG13 ' A' ' 80' ' ' VAL . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -139.45 129.54 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.88 174.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.5 p -128.57 52.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.28 -39.6 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.47 49.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -135.26 122.69 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 HG21 ' A' ' 24' ' ' VAL . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.506 HG23 HD12 ' A' ' 17' ' ' ILE . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.843 ' CE2' HD21 ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.621 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m -139.72 173.93 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.66 35.65 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -101.47 -178.72 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -118.84 -142.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.53 155.42 19.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 47.1 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 37.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -136.64 11.36 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' THR . 9.6 tttm 52.8 174.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.19 121.34 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -87.07 46.2 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -159.1 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.99 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 126.98 47.7 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 174.45 -173.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 117' ' ' VAL . 57.9 mt-10 -66.52 146.99 53.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 p -66.97 -37.47 84.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.98 97.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.95 -50.18 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 113' ' ' GLU . 77.2 t -61.13 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -51.37 -48.25 62.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.14 -48.89 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.86 -62.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -53.35 -45.89 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.489 ' HA ' HG12 ' A' ' 129' ' ' VAL . 17.3 t60 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.814 ' O ' HG21 ' A' ' 11' ' ' VAL . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.843 HD21 ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.694 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 3' ' ' ARG . 78.4 m 65.08 166.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' HG22 ' A' ' 2' ' ' THR . 4.7 ttm180 63.47 141.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD22 ' CG ' ' A' ' 118' ' ' HIS . 68.8 mt -42.27 116.38 1.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.16 130.33 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 7' ' ' ILE . 92.3 mt -76.8 59.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.869 HG11 ' O ' ' A' ' 129' ' ' VAL . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.055 HG22 HG11 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 20' ' ' VAL . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 93' ' ' PHE . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.469 ' HE3' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.812 ' CE2' HG13 ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -151.13 135.88 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 59.85 174.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.1 p -118.49 39.73 3.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -28.03 11.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.87 38.77 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 14.3 m0 -111.13 113.18 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.812 HG13 ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 70' ' ' SER . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.431 HG23 HD12 ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE2' HG11 ' A' ' 24' ' ' VAL . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -137.67 171.87 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.49 59.01 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 29.0 m95 -134.66 175.98 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -127.16 -162.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -55.5 170.14 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.53 -45.15 11.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.15 -55.98 26.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -39.07 144.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -103.78 158.22 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.88 108.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.85 59.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -162.14 -61.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.88 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.75 -41.16 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.48 156.02 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -53.3 164.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -66.03 -21.9 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.37 -51.71 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.1 -45.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.5 -48.27 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.488 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 15.8 t60 -47.46 -56.76 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.24 -47.32 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -64.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -50.83 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.587 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 33' ' ' TRP . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.869 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.055 HG11 HG22 ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.725 ' O ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 1' ' ' MET . 14.9 t 49.62 -175.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.82 152.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.84 154.54 50.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 164.97 32.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.0 141.13 45.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt -80.79 66.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG11 ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 30' ' ' LEU . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.437 ' CE2' HD13 ' A' ' 133' ' ' LEU . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD22 ' NE1' ' A' ' 73' ' ' TRP . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 63' ' ' VAL . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.727 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.592 ' NE1' HD22 ' A' ' 49' ' ' LEU . 11.6 t90 -130.13 128.84 42.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 9.5 t0 87.98 -21.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 33.7 p 36.75 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.7 t70 -170.49 34.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.16 -94.15 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -137.76 165.31 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.43 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 157.81 41.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.85 58.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -137.64 174.39 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -133.98 -156.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 2.8 pt20 -61.74 140.66 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.89 80.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLN . 3.7 t70 178.12 -50.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 102' ' ' GLN . 25.2 p -51.21 101.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -54.98 156.93 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.9 t -87.93 112.69 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.31 52.91 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -165.88 -75.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.57 -58.08 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 113.08 52.32 0.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 175.77 154.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.58 160.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -70.98 -39.09 72.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.67 97.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.5 t -60.26 -52.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.08 -47.13 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -47.79 -52.99 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -66.14 -50.58 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -49.49 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.652 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 33' ' ' TRP . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.849 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.753 HD23 HG23 ' A' ' 129' ' ' VAL . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 137' ' ' VAL . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.012 HG11 HG22 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.469 ' C ' HG23 ' A' ' 2' ' ' THR . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 1' ' ' MET . 23.2 p -156.21 111.37 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 2' ' ' THR . 0.3 OUTLIER 55.36 172.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.79 152.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 138.92 23.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -54.78 141.07 34.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 7' ' ' ILE . 87.4 mt -81.64 61.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.891 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.023 HG22 HG11 ' A' ' 137' ' ' VAL . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.736 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.441 ' O ' HD11 ' A' ' 128' ' ' LEU . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 34' ' ' PHE . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.761 ' CG2' HG23 ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG21 ' HA ' ' A' ' 41' ' ' ALA . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.893 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.893 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.834 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.716 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -121.71 127.02 50.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.15 159.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.3 p -39.45 -46.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.42 112.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.92 -94.84 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -114.49 157.89 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 70' ' ' SER . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 133' ' ' LEU . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m -148.37 161.09 42.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.29 -13.34 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -65.98 162.75 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -118.71 -170.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -42.43 134.37 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.55 58.49 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 -48.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 102' ' ' GLN . 4.7 t -55.37 139.37 43.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -89.25 152.18 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.2 t -86.69 95.49 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -73.21 66.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.21 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.6 -58.17 0.42 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 116' ' ' VAL . . . -86.02 158.22 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 117' ' ' VAL . 62.0 mt-10 -56.98 169.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -66.66 -35.48 80.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.07 25.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.432 ' CG1' ' HB1' ' A' ' 112' ' ' ALA . 24.5 t -51.84 -49.35 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 113' ' ' GLU . 67.4 t -66.15 -43.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -48.31 -51.13 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.6 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -65.38 -49.52 68.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -64.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.79 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.588 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.529 ' CE1' ' HD2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 33' ' ' TRP . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.891 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.646 HD23 HG23 ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.582 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.736 HD12 ' CG ' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 1.023 HG11 HG22 ' A' ' 20' ' ' VAL . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 7' ' ' ILE . 53.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.856 HG21 HG22 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.909 HG22 HG11 ' A' ' 137' ' ' VAL . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.567 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD21 ' CE ' ' A' ' 35' ' ' MET . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.835 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.835 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.494 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.74 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.3 t90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 70' ' ' SER . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HG12 ' A' ' 20' ' ' VAL . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.618 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.523 0.201 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.856 HG22 HG21 ' A' ' 11' ' ' VAL . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 129' ' ' VAL . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.909 HG11 HG22 ' A' ' 20' ' ' VAL . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' ILE . 97.5 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.794 HG21 ' O ' ' A' ' 129' ' ' VAL . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.798 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.646 HD12 HG23 ' A' ' 91' ' ' THR . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.042 HG22 HG11 ' A' ' 137' ' ' VAL . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 21' ' ' TRP . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.597 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' N ' HG11 ' A' ' 63' ' ' VAL . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.996 HG23 ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.834 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.834 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.996 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 70' ' ' SER . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 20' ' ' VAL . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 17' ' ' ILE . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.498 ' CE2' HD21 ' A' ' 133' ' ' LEU . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.455 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.555 0.216 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 129' ' ' VAL . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.794 ' O ' HG21 ' A' ' 11' ' ' VAL . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.418 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 129' ' ' VAL . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.597 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 20' ' ' VAL . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 7' ' ' ILE . 25.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.939 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.98 HG22 HG11 ' A' ' 137' ' ' VAL . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.612 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.576 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.623 ' O ' HD12 ' A' ' 30' ' ' LEU . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.496 ' CE2' HD13 ' A' ' 133' ' ' LEU . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 49' ' ' LEU . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.407 ' CG2' HG23 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.612 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' HD12 ' A' ' 67' ' ' ILE . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' HG13 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 24' ' ' VAL . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HE2' HG11 ' A' ' 24' ' ' VAL . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.529 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.581 ' O ' HG12 ' A' ' 129' ' ' VAL . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.939 HG22 HG21 ' A' ' 11' ' ' VAL . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.924 HD23 HG23 ' A' ' 129' ' ' VAL . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 32' ' ' PHE . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.98 HG11 HG22 ' A' ' 20' ' ' VAL . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 7' ' ' ILE . 67.6 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' HA ' HG21 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.908 HG22 HG11 ' A' ' 137' ' ' VAL . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' THR . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 22' ' ' GLU . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.72 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 133' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.664 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 30' ' ' LEU . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.699 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 72' ' ' THR . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.029 HG23 HD13 ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.029 HD13 HG23 ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CG2' ' A' ' 61' ' ' THR . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.509 ' NE1' HD23 ' A' ' 49' ' ' LEU . 16.8 t90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.521 0.2 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.543 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.434 ' CD2' HD21 ' A' ' 130' ' ' ASN . 6.0 t-160 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.902 HG23 HD23 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.434 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.908 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 7' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.934 HG11 ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 66' ' ' PRO . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.002 HG22 HG11 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' HD11 ' A' ' 30' ' ' LEU . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.739 ' O ' HD12 ' A' ' 30' ' ' LEU . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.48 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.685 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.685 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG11 ' CG1' ' A' ' 63' ' ' VAL . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' ILE . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.92 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.502 ' CZ2' ' HE1' ' A' ' 35' ' ' MET . 2.9 t90 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.531 ' CD1' HG21 ' A' ' 129' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.757 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 95' ' ' ILE . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.574 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 2.9 t-160 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 33' ' ' TRP . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.934 ' O ' HG11 ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.426 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 32' ' ' PHE . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.002 HG11 HG22 ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 129' ' ' VAL . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.709 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.414 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.634 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.482 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.827 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.827 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.862 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 61' ' ' THR . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' HD22 ' A' ' 49' ' ' LEU . 16.0 t90 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 20' ' ' VAL . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.513 ' N ' HD13 ' A' ' 95' ' ' ILE . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.893 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 125' ' ' TRP . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.878 HD23 HG23 ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.821 HG11 HG22 ' A' ' 20' ' ' VAL . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 7' ' ' ILE . 78.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.963 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 91' ' ' THR . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 137' ' ' VAL . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 21' ' ' TRP . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.665 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.899 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.508 ' CG2' HG23 ' A' ' 72' ' ' THR . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.817 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 61' ' ' THR . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.585 ' CZ2' HD21 ' A' ' 49' ' ' LEU . 2.8 t90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 70' ' ' SER . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.412 HG23 HD12 ' A' ' 17' ' ' ILE . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.863 HD12 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.863 ' H ' HD12 ' A' ' 95' ' ' ILE . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.436 ' CE1' HD21 ' A' ' 130' ' ' ASN . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.963 ' O ' HG21 ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.436 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD21 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.665 HD12 ' CG ' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 20' ' ' VAL . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 7' ' ' ILE . 57.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.966 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.879 HG22 HG11 ' A' ' 137' ' ' VAL . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.729 ' O ' HD23 ' A' ' 39' ' ' LEU . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.437 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.554 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.784 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 72' ' ' THR . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.741 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' CG2' ' A' ' 61' ' ' THR . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.463 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 24' ' ' VAL . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 2.7 t-160 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.444 0.164 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 1.0 HG23 HD23 ' A' ' 133' ' ' LEU . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 1.0 HD23 HG23 ' A' ' 129' ' ' VAL . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 20' ' ' VAL . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 7' ' ' ILE . 58.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.956 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.63 HD11 ' HB2' ' A' ' 66' ' ' PRO . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.788 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.743 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.897 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.447 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 37' ' ' ASN . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.892 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.63 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.892 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 81' ' ' THR . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.1 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 70' ' ' SER . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.525 ' HD2' HD23 ' A' ' 69' ' ' LEU . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.447 ' HE2' HG11 ' A' ' 24' ' ' VAL . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.839 HD12 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.839 ' H ' HD12 ' A' ' 95' ' ' ILE . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.462 0.172 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.662 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 33' ' ' TRP . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.956 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.411 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.712 HD23 HG23 ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.897 HD12 ' CG ' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.671 HG11 HG22 ' A' ' 20' ' ' VAL . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' ILE . 52.3 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.826 HG22 HG11 ' A' ' 137' ' ' VAL . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 93' ' ' PHE . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.52 ' O ' HD11 ' A' ' 128' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' 35' ' ' MET . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 36' ' ' GLU . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.719 ' CG2' HG23 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.719 HG23 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 9.8 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 20' ' ' VAL . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 129' ' ' VAL . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.68 ' O ' HG12 ' A' ' 129' ' ' VAL . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 23.1 t60 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 33' ' ' TRP . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 133' ' ' LEU . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.732 HD23 HG23 ' A' ' 129' ' ' VAL . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.614 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.826 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.736 HG21 ' O ' ' A' ' 129' ' ' VAL . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 91' ' ' THR . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' THR . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.508 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.432 ' HE3' HD11 ' A' ' 128' ' ' LEU . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 35' ' ' MET . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 63' ' ' VAL . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.591 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE1' HG13 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 96' ' ' VAL . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 20' ' ' VAL . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.512 HG23 HD12 ' A' ' 17' ' ' ILE . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' HG11 ' A' ' 24' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 80' ' ' VAL . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.504 0.192 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 t-160 -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 33' ' ' TRP . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.736 ' O ' HG21 ' A' ' 11' ' ' VAL . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.495 HD23 HG23 ' A' ' 129' ' ' VAL . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.659 HD12 ' CG ' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.927 HG11 HG22 ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.8 HG21 ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.771 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 30' ' ' LEU . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.61 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.542 ' O ' HD11 ' A' ' 128' ' ' LEU . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 30' ' ' LEU . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 72' ' ' THR . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 81' ' ' THR . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 61' ' ' THR . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.521 ' CE2' HD22 ' A' ' 49' ' ' LEU . 15.2 t90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 96' ' ' VAL . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 70' ' ' SER . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 68' ' ' LYS . 24.3 m-70 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 HG12 ' A' ' 20' ' ' VAL . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HE2' HG11 ' A' ' 24' ' ' VAL . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 80' ' ' VAL . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 1.7 t-160 -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.522 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.441 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 33' ' ' TRP . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.8 ' O ' HG21 ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 129' ' ' VAL . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 7' ' ' ILE . 36.4 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.852 HG11 ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.096 HG22 HG11 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 93' ' ' PHE . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 30' ' ' LEU . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.512 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD11 ' A' ' 49' ' ' LEU . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 63' ' ' VAL . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.679 ' CG2' HG23 ' A' ' 72' ' ' THR . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.539 ' CB ' HG23 ' A' ' 81' ' ' THR . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.679 HG23 ' CG2' ' A' ' 61' ' ' THR . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' CB ' ' A' ' 70' ' ' SER . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.674 ' HE2' HG11 ' A' ' 24' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' N ' HD13 ' A' ' 95' ' ' ILE . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.518 0.199 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.535 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.509 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 9.7 t-160 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.852 ' O ' HG11 ' A' ' 11' ' ' VAL . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.509 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.3 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 129' ' ' VAL . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.096 HG11 HG22 ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 7' ' ' ILE . 70.3 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HE2' HD23 ' A' ' 133' ' ' LEU . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 66' ' ' PRO . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG11 ' A' ' 137' ' ' VAL . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' OE2' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' TRP . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.484 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 72' ' ' THR . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.829 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.631 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.829 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 81' ' ' THR . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 ' CG2' ' A' ' 61' ' ' THR . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.464 ' NE1' HD23 ' A' ' 49' ' ' LEU . 17.3 t90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 92' ' ' ILE . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CE1' HG21 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.498 0.19 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.606 ' HA ' HG12 ' A' ' 129' ' ' VAL . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 33' ' ' TRP . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.841 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.015 HG11 HG22 ' A' ' 20' ' ' VAL . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.522 HG23 ' OD2' ' A' ' 122' ' ' ASP . 81.8 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.908 HG21 HG22 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.82 HG22 HG11 ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 20' ' ' VAL . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 39' ' ' LEU . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.404 ' HE3' HD11 ' A' ' 128' ' ' LEU . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 36' ' ' GLU . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 41' ' ' ALA . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 96' ' ' VAL . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD21 HG12 ' A' ' 20' ' ' VAL . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.465 HG23 HD12 ' A' ' 17' ' ' ILE . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.648 ' HE2' HG11 ' A' ' 24' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.77 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 80' ' ' VAL . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.534 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.474 0.178 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' A' ' 7' ' ' ILE . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HE3' ' A' ' 33' ' ' TRP . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.908 HG22 HG21 ' A' ' 11' ' ' VAL . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.755 HD23 HG23 ' A' ' 129' ' ' VAL . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.82 HG11 HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' OD1' ' A' ' 122' ' ' ASP . 50.2 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.125 HG22 HG11 ' A' ' 137' ' ' VAL . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' HD23 ' A' ' 39' ' ' LEU . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.912 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.625 ' O ' HD11 ' A' ' 128' ' ' LEU . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.821 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.912 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.408 ' CE1' ' CB ' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 37' ' ' ASN . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.919 HG23 ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.919 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.496 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.866 ' CE2' HG13 ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.55 HG23 ' CG2' ' A' ' 61' ' ' THR . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.866 HG13 ' CE2' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 70' ' ' SER . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 20' ' ' VAL . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.46 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.781 ' OD1' HG23 ' A' ' 7' ' ' ILE . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.664 ' O ' HG12 ' A' ' 129' ' ' VAL . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.625 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.713 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.452 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 129' ' ' VAL . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 32' ' ' PHE . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.125 HG11 HG22 ' A' ' 20' ' ' VAL . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' ILE . 76.5 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' HE2' HD23 ' A' ' 133' ' ' LEU . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.506 HD12 HG23 ' A' ' 91' ' ' THR . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.625 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 84' ' ' LEU . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HA ' ' C ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.694 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.438 ' O ' HD11 ' A' ' 128' ' ' LEU . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 49' ' ' LEU . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 30' ' ' LEU . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG11 ' CG1' ' A' ' 63' ' ' VAL . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.953 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.953 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.731 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG13 ' A' ' 80' ' ' VAL . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.8 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 HG21 ' A' ' 24' ' ' VAL . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.506 HG23 HD12 ' A' ' 17' ' ' ILE . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.843 ' CE2' HD21 ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.621 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.531 0.205 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.489 ' HA ' HG12 ' A' ' 129' ' ' VAL . 7.3 t-160 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.814 ' O ' HG21 ' A' ' 11' ' ' VAL . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.843 HD21 ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.694 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 7' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.869 HG11 ' O ' ' A' ' 129' ' ' VAL . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.055 HG22 HG11 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 20' ' ' VAL . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 93' ' ' PHE . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.469 ' HE3' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.812 ' CE2' HG13 ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.3 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.812 HG13 ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 70' ' ' SER . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.431 HG23 HD12 ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE2' HG11 ' A' ' 24' ' ' VAL . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.478 0.18 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 7' ' ' ILE . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.587 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 33' ' ' TRP . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.869 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.055 HG11 HG22 ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG11 ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 30' ' ' LEU . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.437 ' CE2' HD13 ' A' ' 133' ' ' LEU . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD22 ' NE1' ' A' ' 73' ' ' TRP . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 63' ' ' VAL . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.727 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.592 ' NE1' HD22 ' A' ' 49' ' ' LEU . 11.6 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.43 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.519 0.199 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.652 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 33' ' ' TRP . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.849 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.753 HD23 HG23 ' A' ' 129' ' ' VAL . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 137' ' ' VAL . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.012 HG11 HG22 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 7' ' ' ILE . 87.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.891 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.023 HG22 HG11 ' A' ' 137' ' ' VAL . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.736 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.441 ' O ' HD11 ' A' ' 128' ' ' LEU . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 34' ' ' PHE . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.761 ' CG2' HG23 ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG21 ' HA ' ' A' ' 41' ' ' ALA . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.893 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.893 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.834 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.716 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.1 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 70' ' ' SER . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 133' ' ' LEU . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 3.3 t-160 -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.588 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.491 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t-160 -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 33' ' ' TRP . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.891 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.413 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.646 HD23 HG23 ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.582 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.736 HD12 ' CG ' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 1.023 HG11 HG22 ' A' ' 20' ' ' VAL . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.508 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -154.87 35.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.06 174.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.26 153.26 53.7 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 148.96 35.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.1 167.33 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 7' ' ' ILE . 53.5 mt -108.26 80.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -108.61 123.2 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -129.96 166.43 20.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.49 143.38 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.856 HG21 HG22 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -143.87 159.79 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -126.59 125.78 42.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.3 m-85 -124.35 150.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -91.46 105.27 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 174.59 164.34 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 86' ' ' GLU . 18.4 tt -47.41 -27.73 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -48.91 78.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.4 -53.93 40.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.909 HG22 HG11 ' A' ' 137' ' ' VAL . 99.4 t -53.78 -49.48 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -24.74 47.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.13 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.4 m -118.87 15.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' TRP . 11.1 p -114.39 -33.23 5.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 41.2 p -96.42 175.08 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -49.47 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -41.62 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.01 89.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -75.07 -58.1 3.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -52.32 -21.75 3.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -58.52 -21.34 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -138.64 -49.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -66.94 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.567 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.5 mtm -169.72 164.71 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -59.06 135.11 57.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -165.37 179.61 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -126.56 34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.61 151.03 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.36 28.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . 43.74 65.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -143.16 118.86 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.34 142.91 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.32 20.15 79.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 10.3 t60 -88.55 169.23 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 6.0 p80 -134.07 113.0 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.61 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -140.99 146.22 37.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.49 171.16 8.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD21 ' CE ' ' A' ' 35' ' ' MET . 6.4 tp -129.22 130.95 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -99.56 80.4 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.29 166.13 16.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.79 2.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.3 -23.01 66.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.04 158.74 7.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.17 16.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.773 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.26 145.55 45.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.31 42.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 27.9 m -143.65 150.84 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -149.51 131.36 15.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -75.82 143.0 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 p -112.88 -31.95 6.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.34 135.57 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.835 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.46 107.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.81 104.67 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 57.75 169.19 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 70.92 5.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.83 -46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.09 136.15 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.835 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.4 tp -158.97 134.4 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.494 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.6 t -151.12 150.21 30.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.74 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.4 p90 -156.11 141.88 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -86.01 155.09 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.443 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 14.3 t90 -152.54 128.84 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 77.61 171.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.6 p -104.17 -34.92 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -40.44 -64.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.96 65.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -125.54 110.3 13.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.1 141.17 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.5 p -128.37 141.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 70' ' ' SER . 17.1 m -122.77 136.32 54.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.8 m-85 -108.15 146.21 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -136.76 117.63 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HG12 ' A' ' 20' ' ' VAL . 3.2 mp -114.34 154.52 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -169.47 113.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 17' ' ' ILE . 9.5 tm-20 -64.54 140.95 58.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.65 -172.36 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.21 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 13.9 m-20 -53.51 -43.98 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.03 -128.09 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.8 m -108.84 140.67 41.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.49 127.33 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -123.9 121.3 34.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 m -121.44 127.8 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.618 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.03 149.77 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.7 106.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -112.77 115.4 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 m -130.44 160.25 34.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.0 53.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -124.42 170.32 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -118.2 -171.88 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -50.81 145.81 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.75 78.73 0.37 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.54 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 p -63.22 121.32 13.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -79.01 153.3 30.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.9 t -87.83 120.96 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -78.91 -25.41 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.17 -75.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.07 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 144.71 -63.67 0.47 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.53 166.71 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 117' ' ' VAL . 2.6 mt-10 -54.53 159.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.34 -45.45 80.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.19 74.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.4 t -54.41 -52.8 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 113' ' ' GLU . 70.3 t -60.62 -39.3 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -54.24 -53.18 57.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.71 -45.62 93.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -60.11 -56.12 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -50.04 74.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -52.25 -49.88 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -59.13 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.88 -34.98 91.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -67.13 -55.2 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -52.87 -34.46 54.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.63 -53.29 49.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.856 HG22 HG21 ' A' ' 11' ' ' VAL . 13.0 p -92.17 39.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.24 -57.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.43 -43.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -36.55 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 129' ' ' VAL . 30.5 tp -83.95 -45.29 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -52.85 -34.58 54.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -28.39 69.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.2 mm -65.94 -23.4 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.909 HG11 HG22 ' A' ' 20' ' ' VAL . 27.5 m -110.55 -17.65 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.502 0.191 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 3' ' ' ARG . 19.9 p -145.82 -173.06 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.63 ' H ' ' NE2' ' A' ' 102' ' ' GLN . 8.5 ptt85 45.8 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 101' ' ' LYS . 4.3 mt -140.71 144.27 35.4 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.94 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 160.92 20.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' ILE . 97.5 mt -100.7 63.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -85.34 131.36 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 0.2 OUTLIER -134.83 170.31 16.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.2 135.25 14.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.794 HG21 ' O ' ' A' ' 129' ' ' VAL . 4.5 m -144.28 144.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.05 145.09 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.89 148.48 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.6 t30 -95.59 97.56 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.798 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 170.6 175.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 130.85 13.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.646 HD12 HG23 ' A' ' 91' ' ' THR . 5.5 tt -54.28 -30.34 20.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -41.49 73.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -67.27 -55.72 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.042 HG22 HG11 ' A' ' 137' ' ' VAL . 49.1 t -55.37 -44.85 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.2 t-105 -57.02 -51.64 68.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -24.34 67.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.51 -20.35 34.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 21' ' ' TRP . 5.2 m -112.59 14.01 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 p -116.11 -32.94 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -94.59 162.46 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 m -77.72 -47.74 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -36.29 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.84 -34.99 55.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -76.73 -54.11 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.55 -17.89 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.597 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -64.35 -19.52 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -137.11 -49.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 35' ' ' MET . 7.3 t80 -68.87 -88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.508 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.83 163.16 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mm-40 -55.91 133.7 51.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.4 -173.67 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -134.68 32.29 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 155.34 16.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 2.7 mtpt -147.9 23.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.28 68.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' N ' HG11 ' A' ' 63' ' ' VAL . 2.5 tt0 -155.38 109.98 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.73 138.24 8.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.74 28.5 70.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 40' ' ' LYS . 55.2 t60 -105.1 86.87 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -60.99 106.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 33.6 p90 -111.07 141.5 44.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -80.27 149.47 30.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.0 tp -123.76 128.91 50.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -107.75 80.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -85.43 173.57 6.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.2 Cg_endo -75.04 -15.89 20.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -107.85 55.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.61 151.92 4.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.99 24.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.441 1.758 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.02 141.08 22.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.12 29.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 23.7 m -152.74 167.82 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -151.65 133.67 15.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.82 129.18 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' THR . 29.9 p -92.61 -39.15 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.06 133.26 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.996 HG23 ' CD1' ' A' ' 69' ' ' LEU . 9.9 p -157.97 106.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.49 105.7 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 2.2 mtm180 55.2 166.86 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.04 59.82 5.31 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.834 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -132.26 -42.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.834 ' N ' HD12 ' A' ' 67' ' ' ILE . 3.5 tttt -143.59 120.53 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.996 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.3 tp -141.75 125.28 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.9 t -140.36 151.83 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 5.8 p90 -156.75 143.78 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 61' ' ' THR . 74.0 p -87.59 145.44 26.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -104.77 129.34 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.73 170.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -43.75 -41.14 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -176.5 113.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.23 -88.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -115.71 163.55 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 133.25 35.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.674 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 11.1 p -126.38 145.03 34.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 70' ' ' SER . 56.6 m -132.47 136.51 46.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -106.02 152.76 22.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -142.14 113.3 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.613 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 20' ' ' VAL . 1.7 mp -103.08 155.74 18.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.54 115.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.088 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.79 138.8 53.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.82 -169.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.42 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.01 57.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.87 170.56 38.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.646 HG23 HD12 ' A' ' 17' ' ' ILE . 31.3 m -110.73 144.23 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.92 132.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.498 ' CE2' HD21 ' A' ' 133' ' ' LEU . 5.9 t80 -120.6 130.89 54.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -126.71 137.89 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.455 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -121.01 143.81 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.7 t -137.16 120.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -125.6 128.69 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -144.7 167.82 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.38 40.4 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -104.83 -178.5 3.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 4' ' ' LEU . 26.6 mtpt -119.45 -155.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.63 ' NE2' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -79.74 157.42 27.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.7 50.32 4.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -140.96 -48.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.0 t -66.24 163.74 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -113.63 158.43 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.86 112.07 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.37 64.19 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.1 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.49 42.42 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 116' ' ' VAL . . . -173.68 156.25 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -46.22 154.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -44.51 95.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.83 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 112' ' ' ALA . 4.1 t -51.18 -52.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -61.81 -37.38 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.549 ' CE1' HG13 ' A' ' 7' ' ' ILE . 16.2 t60 -58.47 -51.9 67.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.553 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.52 -41.41 96.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -59.65 -64.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -39.3 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.02 -54.52 46.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -49.42 72.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -64.64 -35.53 92.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -57.43 -54.41 47.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 129' ' ' VAL . 1.9 t60 -61.64 -54.98 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.94 -34.27 54.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 124' ' ' GLY . 17.2 tp -73.23 -32.8 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.794 ' O ' HG21 ' A' ' 11' ' ' VAL . 3.8 p -108.42 33.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.418 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -120.79 -57.38 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -116.23 -54.63 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' GLU . 2.7 mmp_? -38.72 -58.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 129' ' ' VAL . 10.8 tp -66.76 -44.74 80.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -51.01 -40.24 57.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -31.01 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.597 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.6 mm -63.77 -22.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 20' ' ' VAL . 19.8 m -113.01 -13.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.3 p -140.68 155.26 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -176.91 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HG ' ' CA ' ' A' ' 103' ' ' GLY . 47.4 mt -77.63 114.49 41.52 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.77 32.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 123.03 17.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.524 HD12 ' CZ2' ' A' ' 100' ' ' TRP . 25.2 mt -62.77 89.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -114.16 124.84 53.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.59 165.92 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -151.94 139.78 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.939 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -139.29 154.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 117.23 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 22.0 m-85 -115.75 150.6 36.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.43 102.02 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.79 168.35 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 130.76 13.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 14.9 tt -55.09 -26.65 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -27.79 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -83.29 -56.99 3.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.98 HG22 HG11 ' A' ' 137' ' ' VAL . 83.1 t -57.67 -36.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.612 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 28.7 t-105 -62.07 -47.91 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.14 63.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -17.33 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.576 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.9 m -115.5 13.2 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -117.4 -36.64 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.623 ' O ' HD12 ' A' ' 30' ' ' LEU . 40.3 p -86.28 167.17 15.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 27.1 m -87.23 -42.19 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -36.13 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.51 -32.17 57.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -76.73 -56.41 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.35 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.45 -23.39 66.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.496 ' CE2' HD13 ' A' ' 133' ' ' LEU . 47.4 p-90 -133.81 -50.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.3 t80 -67.38 -89.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.523 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 2.3 mtm -174.29 165.46 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.746 ' O ' HD12 ' A' ' 49' ' ' LEU . 5.5 mt-10 -58.36 127.93 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -155.38 176.88 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.46 27.64 8.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -64.82 152.06 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -146.9 22.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.73 69.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 3.5 tt0 -147.86 116.71 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t -55.34 140.66 38.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.97 26.29 73.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 32.4 t60 -88.38 156.3 19.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -122.7 114.81 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 4.2 p90 -140.17 129.84 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.19 160.59 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.1 tp -122.74 138.59 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -106.79 77.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.49 161.17 49.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -9.97 20.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.28 33.95 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.07 151.52 28.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.67 23.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.51 139.88 32.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.34 42.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 58.1 m -144.24 151.27 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 108.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -147.89 129.67 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 t -75.71 137.81 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 ' CG2' HG23 ' A' ' 72' ' ' THR . 42.1 p -106.02 -30.23 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 134.15 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.7 p -160.4 108.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.01 104.64 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.596 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.12 167.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.612 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -140.81 -46.64 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' HD12 ' A' ' 67' ' ' ILE . 11.0 tttt -145.58 116.87 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -136.23 127.86 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.4 t -139.0 149.64 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE1' HG13 ' A' ' 80' ' ' VAL . 22.4 p90 -157.01 135.52 11.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 61' ' ' THR . 32.1 p -87.58 148.0 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.565 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 18.0 t90 -143.08 131.94 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 107.996 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' OD1' ' CD1' ' A' ' 73' ' ' TRP . 17.1 m-20 66.71 154.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.8 p -108.45 44.48 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -102.27 -45.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.97 45.39 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -126.83 130.1 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.15 137.38 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -125.05 137.66 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -118.2 138.27 52.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.5 m-85 -105.18 152.23 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -143.18 119.51 10.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 24' ' ' VAL . 1.8 mp -113.21 155.31 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -173.21 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.8 138.44 57.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.13 -168.72 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.94 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -136.35 57.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.62 169.55 38.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.9 m -109.88 133.15 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.6 mm -97.34 121.79 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HE2' HG11 ' A' ' 24' ' ' VAL . 35.8 t80 -116.64 122.17 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -125.07 134.7 52.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.83 147.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.55 106.1 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 t-160 -115.03 122.8 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 m -133.64 171.57 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.18 42.77 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.524 ' CZ2' HD12 ' A' ' 7' ' ' ILE . 6.7 m95 -121.46 178.73 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -127.37 -164.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -54.46 137.93 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' CA ' ' HG ' ' A' ' 4' ' ' LEU . . . -69.94 80.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 179.13 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.8 p -50.37 168.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -120.51 151.96 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 110' ' ' ALA . 17.4 t -102.46 97.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -48.86 -25.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.08 45.33 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . . . -160.24 -69.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.9 -30.15 4.93 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.9 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.88 152.92 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -25.73 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.24 -40.72 64.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.73 -43.57 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.49 -36.21 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.14 -53.16 60.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.88 -43.4 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -56.33 -64.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -44.32 81.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.9 -54.94 23.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -53.3 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.89 -41.98 78.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.581 ' O ' HG12 ' A' ' 129' ' ' VAL . 12.1 m95 -60.89 -57.0 14.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.48 -53.72 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -54.48 -35.93 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.22 -44.68 68.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.939 HG22 HG21 ' A' ' 11' ' ' VAL . 10.3 p -97.71 34.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.67 -53.14 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.5 mm-40 -119.54 -59.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -38.12 -59.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.924 HD23 HG23 ' A' ' 129' ' ' VAL . 41.2 tp -65.81 -35.45 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.8 ttm180 -61.57 -32.76 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -73.27 -30.78 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 32' ' ' PHE . 18.9 mm -58.27 -19.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.98 HG11 HG22 ' A' ' 20' ' ' VAL . 24.0 m -112.77 -33.92 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p 45.3 92.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.54 145.18 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -109.75 104.19 54.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -178.37 4.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 146.53 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 7' ' ' ILE . 67.6 mt -91.51 61.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.8 138.12 34.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 163.81 31.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -152.93 133.52 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HG22 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -134.17 160.91 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -125.6 118.6 26.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 21.0 m-85 -112.95 145.77 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -93.18 106.28 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 171.8 175.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.95 125.64 9.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' HA ' HG21 ' A' ' 91' ' ' THR . 9.5 tt -50.85 -27.7 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.21 -56.91 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.908 HG22 HG11 ' A' ' 137' ' ' VAL . 9.2 t -55.85 -32.77 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 37.1 t-105 -73.17 -34.08 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' THR . 1.2 mt-10 -77.19 -24.78 51.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -10.36 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 16.7 m -119.86 16.35 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 22' ' ' GLU . 92.3 p -115.88 -35.91 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.6 p -97.02 -177.39 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.49 -41.38 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -38.18 81.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.34 -38.52 45.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -73.81 -59.12 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -49.1 -23.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.72 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.56 -18.54 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 133' ' ' LEU . 57.7 p-90 -139.27 -49.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.5 t80 -69.57 -89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.514 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.41 162.55 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.664 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-10 -58.32 135.91 57.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -160.85 -176.77 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.28 11.55 13.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 30' ' ' LEU . 1.7 tp -45.73 144.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -147.43 24.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.699 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.06 72.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 2.5 tt0 -154.57 110.07 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.09 140.5 31.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.2 10.4 86.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 11.7 t60 -81.96 138.62 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -112.73 104.86 12.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.653 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 8.5 p90 -122.88 146.86 47.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -95.39 157.98 15.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.2 tp -116.91 137.67 52.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -104.42 74.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p -89.24 160.34 42.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.07 9.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -87.76 40.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.67 145.04 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.15 20.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.7 145.42 51.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 18.4 Cg_endo -74.98 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 71.2 m -150.98 156.22 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.72 135.13 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.62 131.94 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 72' ' ' THR . 26.8 p -100.65 -27.11 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.05 136.99 8.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.029 HG23 HD13 ' A' ' 69' ' ' LEU . 6.6 p -166.56 106.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.26 105.11 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER 56.67 167.57 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -74.97 70.17 5.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.429 1.752 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.68 -47.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -143.56 119.84 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.029 HD13 HG23 ' A' ' 63' ' ' VAL . 24.3 tp -142.35 124.85 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -136.87 150.39 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 80' ' ' VAL . 21.7 p90 -155.96 133.62 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.492 HG23 ' CG2' ' A' ' 61' ' ' THR . 72.9 p -86.26 148.81 25.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.509 ' NE1' HD23 ' A' ' 49' ' ' LEU . 16.8 t90 -144.48 130.23 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 4.6 t70 75.05 -177.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 p -134.12 23.69 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.387 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.96 -43.99 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.74 48.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.67 129.45 49.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.85 137.42 26.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.5 p -126.08 139.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 m -118.7 135.72 54.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.2 m-85 -103.85 148.85 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -141.03 124.53 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mp -119.89 156.8 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 118.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.39 143.29 57.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -119.87 -172.14 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.41 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -129.22 61.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.6 172.38 36.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 17' ' ' ILE . 59.7 m -110.83 139.53 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 87' ' ' GLU . 19.8 mm -99.73 135.45 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 4.5 t80 -131.25 121.97 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.1 m -124.65 134.94 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -118.35 141.57 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.31 114.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.9 t-160 -117.33 116.93 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.3 m -120.95 165.25 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.09 50.67 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 47.9 m95 -133.32 150.57 51.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -117.75 -167.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 103' ' ' GLY . 24.2 tt0 -49.38 154.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.687 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -83.88 76.98 2.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.26 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -61.48 88.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -44.3 150.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 108' ' ' GLU . 21.2 t -93.39 166.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' HG12 ' A' ' 107' ' ' VAL . 6.8 tt0 -103.01 -53.59 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.51 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.02 -39.49 1.32 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -84.94 174.7 9.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -55.97 158.84 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -67.95 -36.97 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.83 85.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.1 t -62.72 -54.79 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.6 -44.07 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.44 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 64.5 t60 -47.39 -52.48 16.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.96 -48.93 64.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -64.92 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -49.66 70.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t0 -51.64 -54.92 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -47.87 -61.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -60.26 -28.24 66.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.543 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.3 m95 -61.7 -55.7 27.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.434 ' CD2' HD21 ' A' ' 130' ' ' ASN . 6.0 t-160 -63.3 -51.21 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.36 -40.82 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 36.0 tp -59.83 -54.55 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.902 HG23 HD23 ' A' ' 133' ' ' LEU . 10.6 p -90.48 40.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.434 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.31 -67.6 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -34.51 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -37.64 73.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 129' ' ' VAL . 12.9 tp -86.85 -42.32 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.506 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.37 -34.22 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.4 mm -60.89 -23.34 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.908 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -110.56 -32.73 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.538 0.209 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.596 HG23 ' N ' ' A' ' 3' ' ' ARG . 6.3 t -169.72 -156.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 2' ' ' THR . 3.8 mtm180 63.24 177.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD21 ' HA2' ' A' ' 103' ' ' GLY . 35.1 mt -53.55 154.96 5.87 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.81 42.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -68.27 136.22 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 7' ' ' ILE . 61.2 mt -78.15 67.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -84.97 121.04 27.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 126' ' ' HIS . 4.1 mptp? -128.81 165.1 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.0 140.74 20.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.934 HG11 ' O ' ' A' ' 129' ' ' VAL . 32.6 m -138.12 160.54 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -127.98 131.79 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 20.3 m-85 -135.68 150.32 49.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.09 100.66 13.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.37 161.91 1.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 126.45 9.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 66' ' ' PRO . 14.8 tt -50.03 -30.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -28.51 69.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.8 -56.6 3.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.002 HG22 HG11 ' A' ' 137' ' ' VAL . 91.5 t -57.92 -38.97 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 32.6 t-105 -57.43 -48.46 79.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.18 -24.84 64.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.73 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' HD11 ' A' ' 30' ' ' LEU . 12.3 m -121.61 -0.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 p -103.15 -32.78 9.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.739 ' O ' HD12 ' A' ' 30' ' ' LEU . 73.8 p -87.89 174.5 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.9 m -92.9 -51.06 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.11 77.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.48 -34.17 73.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.82 -58.54 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -20.66 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -60.53 -20.0 58.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.48 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.0 p-90 -139.2 -49.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.685 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 3.8 t80 -63.87 -91.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -167.3 161.1 14.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.57 137.56 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.29 -175.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -133.07 40.58 3.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.65 148.62 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.42 121.86 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -62.22 81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.5 tt0 -161.59 112.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.15 136.22 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.82 33.26 63.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 40' ' ' LYS . 80.5 t60 -97.05 167.37 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 4.0 p80 -133.22 138.78 46.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.663 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 8.2 p90 -159.81 153.79 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.69 161.99 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.685 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 17.8 tp -132.43 142.53 49.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -106.76 76.18 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -84.5 163.86 45.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.61 20.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.67 36.94 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.95 150.88 27.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.25 16.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.73 148.08 57.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.33 40.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 67.6 m -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -151.41 140.54 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG11 ' CG1' ' A' ' 63' ' ' VAL . 59.2 t -87.27 126.48 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 72' ' ' THR . 65.5 p -87.11 -38.95 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.88 130.83 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.7 p -157.88 106.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -155.23 104.84 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 5.0 mtm-85 56.61 167.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.01 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.42 -46.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' ILE . 6.4 tttt -141.73 121.96 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.92 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.5 tp -144.93 129.33 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.4 t -144.32 156.31 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.5 p90 -157.18 142.92 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 61' ' ' THR . 82.4 p -86.11 145.59 26.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.502 ' CZ2' ' HE1' ' A' ' 35' ' ' MET . 2.9 t90 -106.94 127.97 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.96 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -52.49 -54.8 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -164.35 111.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.46 -84.81 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -120.83 158.7 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.01 131.14 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 14.8 p -118.53 144.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.3 m -128.11 133.53 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.95 155.04 17.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -142.72 118.88 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -114.2 156.1 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.76 117.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 133.32 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -168.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.1 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -129.76 60.38 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.59 170.43 34.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.3 m -109.56 137.86 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.7 mm -101.45 136.54 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.531 ' CD1' HG21 ' A' ' 129' ' ' VAL . 6.0 t80 -125.23 123.79 40.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.7 m -124.61 132.44 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.757 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.73 147.0 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 95' ' ' ILE . 13.7 t -138.79 117.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 5.9 t-160 -127.11 135.8 51.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -152.35 165.42 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.8 49.82 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -111.83 179.97 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HB3' HG21 ' A' ' 105' ' ' THR . 34.1 mttt -102.94 -170.21 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 139.68 28.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA2' HD21 ' A' ' 4' ' ' LEU . . . -69.13 59.32 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.566 1.166 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.93 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 101' ' ' LYS . 5.8 t -55.46 172.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -114.59 152.28 32.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.577 HG23 ' N ' ' A' ' 114' ' ' SER . 99.9 t -75.46 138.33 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -90.89 33.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.3 tttp -164.71 37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 109' ' ' LYS . . . 171.99 117.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -42.65 -31.07 1.01 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -75.68 154.05 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.69 159.92 22.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.577 ' N ' HG23 ' A' ' 107' ' ' VAL . 12.8 t -53.02 -47.14 68.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.76 93.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.77 -48.56 85.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.54 -48.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' A' ' 7' ' ' ILE . 1.1 t-80 -47.3 -54.27 11.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.91 -44.88 96.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -65.11 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -35.2 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.59 -47.26 87.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -56.5 -55.65 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.06 -36.74 91.33 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.574 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.6 m95 -56.91 -53.4 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 2.9 t-160 -62.6 -50.11 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.82 -43.39 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 33' ' ' TRP . 39.2 tp -60.41 -51.92 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.934 ' O ' HG11 ' A' ' 11' ' ' VAL . 12.0 p -92.63 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.426 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.35 -57.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.54 -43.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -48.49 -39.14 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 129' ' ' VAL . 9.7 tp -80.49 -47.19 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 9.9 ttp180 -53.37 -32.86 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.54 -7.87 36.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 32' ' ' PHE . 30.0 mm -85.59 -24.39 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.002 HG11 HG22 ' A' ' 20' ' ' VAL . 22.7 m -111.07 -18.67 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 3' ' ' ARG . 9.4 t -70.26 -160.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 2' ' ' THR . 3.0 ptt180 -51.58 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt -53.54 113.69 5.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.03 33.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -40.73 114.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.658 ' CG1' ' CE1' ' A' ' 118' ' ' HIS . 72.4 mt -57.55 90.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -100.85 128.17 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 126' ' ' HIS . 1.7 mppp? -132.42 161.89 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -146.71 137.32 23.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 129' ' ' VAL . 2.4 m -136.46 160.32 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -127.01 122.18 33.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.0 m-85 -121.48 150.28 41.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.53 97.35 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.42 167.81 1.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.03 134.06 17.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.05 -25.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -44.38 97.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -67.86 -55.18 13.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 24' ' ' VAL . 39.7 t -53.19 -34.26 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.709 ' HA ' HG22 ' A' ' 24' ' ' VAL . 42.6 t-105 -73.55 -53.95 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 26' ' ' THR . 2.4 mt-10 -55.65 -24.37 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.14 -41.87 16.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.3 m -85.88 8.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.6 p -114.88 -32.27 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 22' ' ' GLU . 37.4 p -86.53 164.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 m -82.98 -53.55 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.27 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.07 89.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -73.36 -53.05 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -58.93 -16.39 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -17.8 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.414 ' O ' HD11 ' A' ' 128' ' ' LEU . 58.6 p-90 -138.36 -49.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' MET . 9.3 t80 -72.56 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.513 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.79 166.31 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -59.66 137.07 58.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -163.34 -176.35 4.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -129.77 33.63 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.21 150.41 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -147.0 30.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.634 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.22 66.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -149.4 110.51 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -50.01 138.53 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.29 42.65 97.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -115.7 71.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -49.09 110.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 44.4 p90 -120.83 149.07 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -80.41 155.36 27.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 73' ' ' TRP . 6.4 tp -129.69 125.36 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -100.8 80.9 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.93 169.12 13.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.18 18.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -104.86 54.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.25 149.78 2.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.31 21.53 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.19 146.66 60.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.32 36.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.6 m -138.26 155.23 48.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.17 130.14 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.93 134.31 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.482 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.8 p -99.39 -34.04 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.85 135.27 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.17 110.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.96 105.0 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.02 168.81 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 69.69 5.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.827 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.47 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.827 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.5 tttt -137.44 133.14 34.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.862 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.1 tp -153.13 125.22 7.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -140.79 148.35 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.1 p90 -154.15 140.4 18.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 61' ' ' THR . 70.9 p -89.75 150.0 22.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' HD22 ' A' ' 49' ' ' LEU . 16.0 t90 -143.82 131.62 21.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.82 166.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -120.78 55.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -46.02 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.84 47.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 99' ' ' GLY . 14.0 m0 -131.08 111.93 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.89 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -119.01 139.18 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -122.37 137.92 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -108.58 153.44 23.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -146.45 116.35 7.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.675 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 20' ' ' VAL . 1.6 mp -107.33 162.49 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -177.67 113.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 140.15 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -168.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.38 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -131.4 50.38 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.79 174.69 47.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -115.73 133.3 56.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.1 mm -97.53 131.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -124.4 118.47 26.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 m -115.81 135.31 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.613 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -115.47 148.91 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' N ' HD13 ' A' ' 95' ' ' ILE . 84.9 t -142.15 114.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.67 118.18 30.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -125.56 155.29 40.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 78' ' ' TRP . . . 123.28 54.42 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -126.36 175.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.32 -161.56 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.625 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -56.88 153.01 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.87 43.12 3.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.38 35.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 102' ' ' GLN . 5.1 t -126.07 -178.77 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 105' ' ' THR . 7.0 ttpp -128.43 154.59 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 110' ' ' ALA . 21.4 t -101.45 103.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -26.31 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -93.02 30.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . . . -176.51 113.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.5 -25.47 2.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.08 171.73 11.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 117' ' ' VAL . 17.4 mt-10 -97.65 168.43 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 m -68.52 -47.08 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.53 -37.11 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.04 -53.95 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 113' ' ' GLU . 97.2 t -61.07 -33.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.658 ' CE1' ' CG1' ' A' ' 7' ' ' ILE . 4.1 t60 -63.61 -52.37 61.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.69 -40.53 92.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -64.66 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 7.9 mmm -63.2 -46.33 87.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.4 t70 -52.37 -50.89 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -57.94 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.99 -33.28 73.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.893 ' O ' HG12 ' A' ' 129' ' ' VAL . 1.8 m95 -57.76 -53.18 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 1.4 t60 -63.0 -51.75 65.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.39 -44.11 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.4 tp -60.64 -50.87 71.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 125' ' ' TRP . 9.3 p -91.64 36.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.68 -56.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 134' ' ' ARG . 1.6 mm-40 -118.63 -57.57 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' GLU . 5.7 mmt180 -38.33 -56.62 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.878 HD23 HG23 ' A' ' 129' ' ' VAL . 15.0 tp -67.07 -36.06 81.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 7.7 ttm180 -60.47 -39.51 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -35.7 79.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.43 -24.67 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.821 HG11 HG22 ' A' ' 20' ' ' VAL . 20.1 m -112.3 -33.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.478 0.18 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -107.32 -178.76 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 62.87 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.25 123.0 73.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.58 1.831 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.25 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 7' ' ' ILE . 78.1 mt -87.83 66.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -95.53 128.56 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -138.04 163.04 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.3 131.95 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.963 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.5 m -138.52 155.94 28.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.87 133.14 54.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 20.9 m-85 -128.68 150.34 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -91.24 98.03 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.18 163.21 1.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 132.64 15.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 91' ' ' THR . 4.6 tt -55.02 -25.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.56 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -85.11 -55.99 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 137' ' ' VAL . 78.1 t -56.39 -40.21 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.597 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 38.5 t-105 -56.72 -54.97 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -25.2 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.81 -15.48 59.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 21' ' ' TRP . 17.7 m -119.98 12.48 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.6 p -113.72 -31.61 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 p -99.16 165.97 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -81.56 -45.08 16.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -36.92 36.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -75.36 -55.6 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.74 -19.48 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.665 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.64 -21.59 65.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.78 -49.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.8 t80 -69.19 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.506 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -173.69 163.65 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.899 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-10 -55.92 139.68 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 1.2 p30 -164.21 -178.02 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.38 13.26 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -47.1 153.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -148.56 23.61 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.589 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.79 66.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.9 110.82 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.45 138.45 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.84 37.72 88.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -115.53 64.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 107.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' CB ' ' A' ' 58' ' ' CYS . 22.0 p90 -116.73 138.96 51.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -77.76 158.8 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.6 tp -130.39 129.59 43.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -98.43 75.44 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.79 170.53 11.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -48.19 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.63 54.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.63 149.96 3.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.34 31.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.13 134.2 16.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.614 ' CB ' ' CZ ' ' A' ' 47' ' ' PHE . 87.0 m -101.08 158.52 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -147.53 143.16 27.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.9 136.91 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.508 ' CG2' HG23 ' A' ' 72' ' ' THR . 69.0 p -108.01 -31.94 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.74 133.81 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.6 p -162.7 109.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.91 104.69 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.597 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 56.09 168.8 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.94 70.46 5.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -146.55 -46.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.4 tttt -138.65 120.91 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.817 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.5 tp -147.77 131.82 17.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.4 t -148.39 155.83 41.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 2.2 p90 -157.09 138.62 13.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 61' ' ' THR . 63.2 p -85.76 153.22 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.585 ' CZ2' HD21 ' A' ' 49' ' ' LEU . 2.8 t90 -121.55 128.12 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.53 170.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -47.53 -42.87 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -178.34 115.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.44 -93.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.95 158.46 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.68 140.84 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 p -124.18 143.68 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 70' ' ' SER . 23.5 m -128.85 131.56 47.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.85 152.2 21.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -145.21 112.92 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.73 156.58 18.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 1.8 ptmt -167.92 113.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 133.04 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -124.02 -178.48 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -58.51 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -51.45 -43.42 62.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.75 -129.55 1.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.412 HG23 HD12 ' A' ' 17' ' ' ILE . 20.1 m -110.24 145.18 37.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 0.79 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.411 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.5 mm -107.98 136.12 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.0 t80 -125.83 117.49 23.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 m -111.69 144.35 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.863 HD12 ' H ' ' A' ' 96' ' ' VAL . 1.0 OUTLIER -126.6 144.93 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.863 ' H ' HD12 ' A' ' 95' ' ' ILE . 25.5 t -147.38 106.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -120.99 117.25 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -127.58 167.84 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.65 53.05 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -126.33 163.17 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -107.23 -169.84 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -53.72 147.79 11.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.45 60.62 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.37 -46.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t -59.82 168.67 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -114.54 148.39 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 47.6 t -80.36 112.07 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -18.72 54.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 6.1 tttt -104.33 39.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 109' ' ' LYS . . . 164.42 112.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.67 -32.5 0.87 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.63 156.16 35.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 116' ' ' VAL . 1.4 mt-10 -82.89 159.58 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.9 p -58.72 -32.41 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.47 -48.0 36.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 113' ' ' GLU . 68.3 t -58.46 -47.71 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.64 -35.88 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.406 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.4 OUTLIER -57.81 -53.55 56.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.51 -48.58 76.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -52.35 -54.45 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mmt -69.04 -47.4 65.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 2.3 t70 -52.18 -54.44 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -57.42 -58.22 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.82 52.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.1 m95 -60.48 -52.95 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.436 ' CE1' HD21 ' A' ' 130' ' ' ASN . 2.2 t60 -58.38 -55.0 40.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -37.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.76 -53.48 53.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.963 ' O ' HG21 ' A' ' 11' ' ' VAL . 12.8 p -91.2 39.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.436 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.46 -57.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.41 -43.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -50.01 -36.12 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD21 ' CE2' ' A' ' 93' ' ' PHE . 46.9 tp -87.05 -43.4 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.39 -34.62 35.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.665 HD12 ' CG ' ' A' ' 32' ' ' PHE . 22.4 mm -49.69 -25.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 20' ' ' VAL . 35.7 m -108.06 -29.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.468 0.175 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.8 m 63.29 126.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 173.03 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.67 116.91 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 145.82 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 7' ' ' ILE . 57.7 mt -84.36 61.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -90.19 123.06 33.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 12.1 mmtt -130.41 170.28 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -146.27 142.09 27.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.966 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.8 m -139.72 155.85 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -127.3 125.22 40.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.52 143.11 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 2.0 t-20 -88.7 99.42 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 176.03 173.16 0.3 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 135.33 18.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.01 -25.87 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -29.31 68.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.58 -57.01 3.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.879 HG22 HG11 ' A' ' 137' ' ' VAL . 22.1 t -53.45 -38.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.2 t-105 -62.47 -36.41 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.4 -25.06 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.84 57.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.3 m -119.54 16.83 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.729 ' O ' HD23 ' A' ' 39' ' ' LEU . 82.5 p -122.14 -41.58 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.2 p -85.29 172.5 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 58.1 m -88.11 -51.27 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -42.27 68.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.06 -38.18 83.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -72.46 -59.09 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.42 -21.62 2.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -60.74 -19.74 59.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.437 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -138.42 -49.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' MET . 4.7 t80 -69.29 -90.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.554 ' CE ' HD21 ' A' ' 49' ' ' LEU . 5.7 mtm -170.13 167.09 8.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.784 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 mt-10 -63.22 134.91 56.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' CB ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -162.95 178.59 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -121.2 31.67 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -68.17 152.5 45.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -149.96 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 50.93 68.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' HIS . 5.0 tt0 -152.49 112.5 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.457 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.2 t -51.21 141.95 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 31.17 78.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 42' ' ' GLU . 14.0 t60 -102.73 95.27 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.572 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -63.27 105.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 2.5 p90 -126.51 128.11 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -81.44 164.54 21.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 36' ' ' GLU . 14.3 tp -126.23 127.46 45.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -93.58 74.9 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -85.66 166.69 28.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.59 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -81.93 49.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 150.2 8.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.32 36.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -140.63 136.79 16.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 67.6 m -111.7 154.54 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.79 142.81 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 t -87.16 141.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 72' ' ' THR . 43.1 p -111.51 -33.47 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.52 133.34 14.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 69' ' ' LEU . 3.2 p -164.47 107.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.85 107.21 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.97 166.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 69.07 5.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -143.95 -47.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.741 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -136.85 132.97 35.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 63' ' ' VAL . 19.1 tp -154.89 135.14 13.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -151.85 149.97 29.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 80' ' ' VAL . 9.6 p90 -156.86 137.37 13.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' CG2' ' A' ' 61' ' ' THR . 80.7 p -86.13 154.61 21.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.463 ' NE1' HD23 ' A' ' 49' ' ' LEU . 14.6 t90 -151.91 129.22 11.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 69.83 149.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -103.15 45.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.91 -64.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.32 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -124.74 115.81 21.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.54 128.23 32.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 71' ' ' PHE . 7.3 p -112.62 143.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -121.67 137.27 54.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.46 148.18 29.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.17 124.29 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.578 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 24' ' ' VAL . 3.4 mp -113.95 160.85 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 115.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -69.55 132.05 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -167.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.63 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -129.01 59.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.51 177.68 44.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.7 m -113.45 142.53 45.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mm -108.64 131.63 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 129' ' ' VAL . 50.1 t80 -124.18 121.67 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -121.52 129.67 53.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -110.72 144.36 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 77.0 t -135.29 122.03 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 2.7 t-160 -123.42 126.18 46.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 m -130.49 163.59 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.47 31.13 2.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.463 ' NE1' HD12 ' A' ' 7' ' ' ILE . 95.8 m95 -104.08 -179.37 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -124.16 -141.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -95.28 165.69 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.38 27.93 12.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.46 26.56 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 t -137.6 -172.98 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -137.77 157.55 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.98 148.88 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -110.94 44.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -155.51 -62.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -72.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 151.23 -50.72 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.17 174.07 8.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.11 166.27 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -67.04 -36.41 82.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.26 81.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -54.51 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.32 -51.41 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 7' ' ' ILE . 19.1 t-80 -47.61 -56.19 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.17 -50.53 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -61.63 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -46.25 79.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -57.7 -54.82 42.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 -55.84 7.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -65.64 -33.05 85.05 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -57.71 -55.95 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.0 t-160 -64.8 -53.05 53.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -53.26 -31.28 42.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' GLY . 21.4 tp -72.87 -44.84 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 1.0 HG23 HD23 ' A' ' 133' ' ' LEU . 9.0 p -98.25 33.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.16 -50.43 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.37 -59.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -38.15 -54.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 1.0 HD23 HG23 ' A' ' 129' ' ' VAL . 8.2 tp -69.54 -40.77 76.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 137' ' ' VAL . 4.9 tmm_? -55.99 -35.16 66.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -35.3 77.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' CG ' ' A' ' 32' ' ' PHE . 41.4 mm -54.7 -20.3 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.879 HG11 HG22 ' A' ' 20' ' ' VAL . 25.8 m -114.34 -36.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.669 ' O ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.488 0.185 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 1' ' ' MET . 14.7 t 47.91 -166.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -173.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.56 141.37 95.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.84 40.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.85 135.62 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 7' ' ' ILE . 58.3 mt -73.76 68.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -93.61 125.44 38.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 55.0 mmtt -131.76 157.64 43.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.62 132.87 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.956 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -136.82 159.6 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 126.93 46.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 18.7 m-30 -124.57 143.51 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -85.39 99.03 10.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -177.53 163.4 1.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 130.41 13.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.63 HD11 ' HB2' ' A' ' 66' ' ' PRO . 11.1 tt -51.47 -27.68 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -78.63 -54.81 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.788 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.9 t -52.77 -42.78 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.743 ' HA ' HG22 ' A' ' 24' ' ' VAL . 41.0 t-105 -60.36 -53.44 57.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 108.033 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -25.22 63.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.65 -12.17 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.5 m -122.85 15.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' TRP . 5.1 p -132.35 14.15 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.074 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -132.89 162.84 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -76.23 -41.72 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -27.94 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.98 -40.01 26.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.25 -56.31 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.99 -18.12 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.897 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -23.78 67.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.947 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.447 ' O ' HD11 ' A' ' 128' ' ' LEU . 56.6 p-90 -134.79 -49.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.7 t80 -67.95 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.28 161.42 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.976 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -49.58 142.0 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 p30 -168.71 179.18 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.11 32.47 5.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt -67.08 153.74 42.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.04 24.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.02 72.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.57 110.11 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.5 138.39 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.5 38.04 90.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 32.2 t60 -111.8 167.61 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.57 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -131.68 148.27 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.8 p90 -161.78 148.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -85.71 172.42 10.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.634 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 37' ' ' ASN . 5.5 tp -143.61 134.95 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -110.93 77.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.1 170.14 12.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.53 21.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.92 43.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.58 153.02 11.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 140.2 25.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.47 144.74 43.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 158.04 42.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 72.1 m -145.48 159.91 42.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -150.65 131.87 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.19 140.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.4 p -107.83 -33.98 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.1 134.48 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.892 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.3 p -163.74 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.96 106.37 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.559 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 57.89 167.99 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.63 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -74.95 65.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.0 pp -142.16 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.548 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.8 131.97 41.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.892 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.3 tp -155.41 127.5 7.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 81' ' ' THR . 8.3 t -145.36 148.81 33.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 3.6 p90 -156.41 137.92 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.8 p -88.21 152.61 21.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 19.1 t90 -151.65 130.66 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 1.9 t70 78.77 169.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 p -122.48 51.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.21 -65.14 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.59 42.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 11.1 m0 -116.06 110.13 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 142.22 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 9.0 p -129.12 145.08 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 70' ' ' SER . 26.0 m -132.74 138.21 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.525 ' HD2' HD23 ' A' ' 69' ' ' LEU . 24.1 m-85 -111.65 144.49 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -134.37 113.12 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 4.3 mp -101.74 159.11 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.469 ' CD ' ' HB ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -171.34 117.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 127.7 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.33 -170.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -61.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -48.55 -45.32 37.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.96 -130.48 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.4 m -110.24 136.68 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.469 ' HB ' ' CD ' ' A' ' 85' ' ' LYS . 8.6 mm -102.74 130.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.447 ' HE2' HG11 ' A' ' 24' ' ' VAL . 17.5 t80 -119.41 119.12 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -112.35 139.95 47.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.839 HD12 ' H ' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -121.69 145.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.839 ' H ' HD12 ' A' ' 95' ' ' ILE . 22.0 t -141.29 113.37 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -125.61 127.65 46.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.615 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.9 m -141.1 173.08 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.72 50.31 0.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.532 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 87.9 m95 -117.66 -178.0 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.16 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' ASP . 13.7 pt20 -56.76 135.77 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.75 71.34 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLN . 8.7 t0 -170.52 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -61.2 -177.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -129.12 151.98 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.512 HG21 HG11 ' A' ' 117' ' ' VAL . 22.0 t -99.04 127.65 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -79.27 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.72 -65.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.58 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 99.33 67.11 0.86 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 172.45 154.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.04 152.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.7 p -66.35 -32.28 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.89 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.72 -53.08 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 107' ' ' VAL . 1.2 p -58.58 -39.7 76.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 t-80 -58.73 -50.67 73.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.24 -39.87 94.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -60.36 -57.54 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -43.14 79.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 11.0 t70 -51.96 -43.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -65.47 -51.04 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.4 -46.74 93.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.662 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.9 m95 -53.91 -38.89 65.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 1.8 t60 -72.64 -54.92 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.647 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 33' ' ' TRP . 56.6 tp -61.84 -52.08 65.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.956 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.1 p -91.68 39.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.411 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.24 -67.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -34.45 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -57.76 -37.79 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.712 HD23 HG23 ' A' ' 129' ' ' VAL . 15.5 tp -85.71 -29.59 23.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 20.0 ttp180 -65.75 -37.63 86.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.06 -24.14 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.897 HD12 ' CG ' ' A' ' 32' ' ' PHE . 51.5 mm -66.96 -26.19 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.671 HG11 HG22 ' A' ' 20' ' ' VAL . 16.7 m -110.71 -18.93 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.552 0.215 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.743 HG22 ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 177.53 162.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 102' ' ' GLN . 3.5 mpt_? -43.21 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 23.3 mt -43.84 115.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.58 42.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 145.53 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' ILE . 52.3 mt -72.68 72.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -88.1 124.13 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 41.5 mmtt -137.64 165.64 25.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.32 145.89 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.3 m -145.47 163.54 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.3 127.33 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.214 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 21.7 m-85 -122.72 149.2 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.3 m-20 -95.86 97.82 9.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 178.82 170.52 0.51 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 130.08 12.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 16.3 tt -53.0 -24.91 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -63.95 -38.22 90.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.8 -53.87 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.826 HG22 HG11 ' A' ' 137' ' ' VAL . 86.0 t -60.57 -41.53 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 39.4 t-105 -58.77 -43.07 90.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -70.96 -34.22 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.72 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 93' ' ' PHE . 20.0 m -118.39 6.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -111.68 -26.36 9.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -96.69 164.44 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 70.0 m -84.1 -45.79 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -39.3 93.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.83 -40.34 93.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -72.17 -55.13 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -53.25 -20.36 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.41 -18.0 60.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.52 ' O ' HD11 ' A' ' 128' ' ' LEU . 67.3 p-90 -139.25 -49.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' 35' ' ' MET . 11.3 t80 -69.47 -89.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.07 163.98 6.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 7.3 mt-10 -61.37 132.3 53.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.77 -172.48 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -130.89 32.4 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -67.2 149.69 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.77 30.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 44.85 65.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.15 117.92 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 t -64.18 139.99 58.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.88 21.13 79.59 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -90.06 147.73 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.641 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -113.78 106.95 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 22.3 p90 -133.2 142.28 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 36' ' ' GLU . 6.0 tp -126.6 120.35 29.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -89.48 75.97 7.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 170.74 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.97 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.53 51.05 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.89 146.74 4.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.95 37.58 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 151.3 73.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.89 37.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 34.6 m -145.59 148.7 33.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -152.82 123.51 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.57 139.19 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.719 ' CG2' HG23 ' A' ' 72' ' ' THR . 25.7 p -112.08 -34.81 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.64 131.82 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.0 p -162.94 107.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.62 104.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.09 168.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.98 70.74 5.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -147.62 -46.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.7 tttt -137.83 123.35 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.6 tp -147.02 126.76 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 81' ' ' THR . 1.7 t -143.18 150.99 40.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CE1' HG13 ' A' ' 80' ' ' VAL . 15.4 p90 -156.23 139.54 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.719 HG23 ' CG2' ' A' ' 61' ' ' THR . 66.9 p -84.91 152.04 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.492 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 9.8 t90 -147.94 128.79 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' CG ' ' CD1' ' A' ' 73' ' ' TRP . 6.3 m-20 63.84 160.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.4 t -111.77 46.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -20.12 13.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.02 31.1 2.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -107.91 133.01 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.72 142.36 26.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CE1' ' A' ' 71' ' ' PHE . 10.0 p -131.96 143.18 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.1 m -125.23 138.43 54.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.96 135.44 50.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -125.79 116.01 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 20' ' ' VAL . 3.5 mp -107.1 162.63 13.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.421 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -174.76 114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -70.06 123.41 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -96.4 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -41.51 -87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -117.51 55.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.21 171.64 40.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.8 m -111.2 140.05 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 110.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.421 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 37.7 mm -107.0 124.79 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 129' ' ' VAL . 28.2 t80 -119.26 130.24 55.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -125.81 139.62 53.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -115.54 147.44 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 25.3 t -144.43 113.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -124.72 113.73 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.9 m -116.35 157.85 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.42 59.78 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -137.43 171.0 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -114.04 -173.35 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HA ' ' CG ' ' A' ' 3' ' ' ARG . 4.3 pt20 -56.24 142.72 36.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.89 82.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER 175.64 -71.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.9 p -38.56 149.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -98.5 162.93 12.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.78 146.21 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -111.7 53.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -74.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.683 ' O ' ' HB3' ' A' ' 112' ' ' ALA . . . 122.67 121.15 2.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 111' ' ' GLY . . . 84.24 157.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -38.36 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.75 69.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 36.1 t -75.48 -48.75 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 111' ' ' GLY . 15.2 t -64.79 -42.33 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 t-80 -49.66 -54.34 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.01 -48.82 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -58.45 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.5 mmm -55.51 -40.39 71.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 26.2 t70 -61.02 -46.71 89.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -58.75 -55.67 32.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -58.29 -38.1 89.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.68 ' O ' HG12 ' A' ' 129' ' ' VAL . 8.1 m95 -59.68 -56.89 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.515 ' CG ' ' OD1' ' A' ' 130' ' ' ASN . 23.1 t60 -56.16 -54.6 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.33 -39.87 67.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 33' ' ' TRP . 41.2 tp -64.63 -51.3 63.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 133' ' ' LEU . 12.5 p -92.8 37.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.515 ' OD1' ' CG ' ' A' ' 126' ' ' HIS . 0.7 OUTLIER -120.22 -56.04 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.354 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -127.34 -45.98 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -40.58 17.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.732 HD23 HG23 ' A' ' 129' ' ' VAL . 12.8 tp -77.38 -50.39 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 13.6 ttm-85 -50.98 -38.92 53.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.02 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.614 HD12 ' CG ' ' A' ' 32' ' ' PHE . 31.6 mm -75.79 -25.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.826 HG11 HG22 ' A' ' 20' ' ' VAL . 19.4 m -112.07 -12.03 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.527 0.204 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.39 117.23 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 -172.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 101' ' ' LYS . 42.1 mt -106.15 116.8 58.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 139.63 30.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.93 65.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -93.88 132.59 38.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 65.3 mmtt -136.32 168.64 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 11' ' ' VAL . 2.2 tm-20 -152.76 133.69 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.736 HG21 ' O ' ' A' ' 129' ' ' VAL . 13.0 m -136.15 160.15 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 129.96 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 19.4 m-85 -126.97 150.44 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.09 100.96 13.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.66 166.16 1.04 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 134.77 18.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 91' ' ' THR . 13.7 tt -60.42 -29.54 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -29.75 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.31 -55.33 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG11 ' A' ' 137' ' ' VAL . 90.0 t -56.11 -33.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.7 t-105 -64.19 -52.57 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.032 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' THR . 3.2 mt-10 -61.53 -38.71 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -15.94 30.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 21' ' ' TRP . 16.0 m -118.03 11.65 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.508 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.5 p -110.94 -37.55 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 30' ' ' LEU . 11.6 p -88.59 -177.5 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 24.7 m -97.14 -46.42 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -40.33 85.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.74 -32.95 66.72 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -77.25 -56.32 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.363 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.66 -18.89 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -61.64 -24.38 66.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.432 ' HE3' HD11 ' A' ' 128' ' ' LEU . 43.4 p-90 -133.37 -49.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 35' ' ' MET . 17.5 t80 -68.22 -90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.509 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.51 164.42 5.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 mt-10 -58.84 132.5 54.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -158.49 -176.9 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -128.81 33.85 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -72.46 150.32 43.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 32.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 43.97 66.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -147.9 129.19 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -71.41 148.92 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.21 19.69 64.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -85.51 152.12 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.6 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -117.4 105.99 12.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 13.7 p90 -132.82 141.91 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -94.07 172.86 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.4 tp -132.69 140.92 48.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -112.23 79.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -91.27 173.32 5.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 51' ' ' SER . 18.3 Cg_endo -75.0 -32.88 5.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -29.76 69.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 165.79 12.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.58 10.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -133.22 141.0 39.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 134.85 18.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 84.9 m -122.96 157.51 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -151.41 142.21 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 63' ' ' VAL . 36.1 t -89.55 134.08 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -101.14 -31.65 10.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.3 134.81 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.1 p -161.93 107.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -155.12 105.52 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 6.5 mtm-85 57.4 165.57 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.5 Cg_endo -74.92 67.47 5.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.591 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.3 pp -137.83 -47.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 tttt -144.97 114.54 7.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 14.0 tp -134.71 129.27 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -140.34 149.3 42.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CE1' HG13 ' A' ' 80' ' ' VAL . 31.1 p90 -157.18 133.29 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -86.89 145.94 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -137.16 128.81 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 108.032 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 171.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.1 p -124.27 63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -44.08 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.44 56.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -140.83 109.5 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.99 131.45 53.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 96' ' ' VAL . 3.0 p -116.05 139.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -123.91 137.53 54.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' HD2' HD23 ' A' ' 69' ' ' LEU . 18.8 m-85 -106.15 153.69 21.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -145.11 112.82 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 20' ' ' VAL . 2.1 mp -106.33 162.2 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -178.61 115.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.58 134.75 55.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -168.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -44.52 -76.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -125.39 57.28 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.77 177.54 41.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.512 HG23 HD12 ' A' ' 17' ' ' ILE . 90.9 m -114.16 141.4 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 85' ' ' LYS . 32.9 mm -99.95 131.73 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' HG11 ' A' ' 24' ' ' VAL . 25.3 t80 -123.93 125.54 44.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -127.44 138.87 53.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD13 ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -122.24 144.17 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 80' ' ' VAL . 73.8 t -135.7 132.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -133.9 125.71 28.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 m -137.14 171.92 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.61 41.26 2.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.435 ' HH2' HG12 ' A' ' 117' ' ' VAL . 43.7 m95 -116.57 164.46 14.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 4' ' ' LEU . 83.4 mttt -109.6 -175.74 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.14 162.89 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.63 46.18 3.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -129.07 -45.71 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.9 t -64.03 164.77 10.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -110.63 158.49 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 110' ' ' ALA . 39.0 t -104.22 73.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -46.12 -37.58 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -47.85 70.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.599 ' H ' HG12 ' A' ' 107' ' ' VAL . . . -84.42 -57.86 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.0 36.4 1.14 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.73 159.25 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.664 ' HB2' HG23 ' A' ' 116' ' ' VAL . 2.0 mm-40 -56.1 149.57 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -35.3 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.12 76.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.664 HG23 ' HB2' ' A' ' 113' ' ' GLU . 87.1 t -60.04 -51.76 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.435 HG12 ' HH2' ' A' ' 100' ' ' TRP . 77.3 t -62.43 -43.03 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -48.09 -54.3 13.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.543 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.38 -50.77 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -51.56 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -59.58 -46.73 88.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.33 -53.44 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.64 -30.97 79.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.1 m95 -66.68 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 t-160 -65.98 -55.13 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.649 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD11 ' HE3' ' A' ' 33' ' ' TRP . 23.8 tp -63.92 -52.89 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.736 ' O ' HG21 ' A' ' 11' ' ' VAL . 7.9 p -91.82 38.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.15 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -37.19 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -38.2 61.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.495 HD23 HG23 ' A' ' 129' ' ' VAL . 14.5 tp -84.28 -46.88 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 2.0 ttt180 -51.75 -34.73 40.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -32.55 74.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.659 HD12 ' CG ' ' A' ' 32' ' ' PHE . 35.7 mm -57.55 -23.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.927 HG11 HG22 ' A' ' 20' ' ' VAL . 26.9 m -111.61 -31.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.455 0.169 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p 44.04 -167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.92 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 101' ' ' LYS . 11.0 mt -95.68 137.88 21.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.51 29.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -71.93 131.92 43.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 118' ' ' HIS . 11.0 mt -70.98 63.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -92.99 123.04 35.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -130.98 160.71 33.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -140.77 138.39 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.8 HG21 ' O ' ' A' ' 129' ' ' VAL . 2.9 m -139.4 148.38 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -120.57 134.51 55.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 16.2 m-85 -132.08 149.32 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -88.29 105.36 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 175.08 168.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 127.27 10.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 91' ' ' THR . 3.3 tt -47.25 -30.71 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.89 89.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.91 -51.73 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 59.4 t -60.62 -41.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.771 ' HA ' HG22 ' A' ' 24' ' ' VAL . 34.4 t-105 -62.32 -56.99 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mt-10 -55.56 -24.9 34.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 21' ' ' TRP . 6.6 m -96.67 12.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' TRP . 27.7 p -117.74 -36.47 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.051 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 30' ' ' LEU . 70.1 p -85.15 171.44 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 39' ' ' LEU . 3.5 m -89.24 -49.64 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -39.37 86.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.07 90.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.96 -53.45 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -57.33 -16.78 9.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.61 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -65.58 -20.19 66.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.542 ' O ' HD11 ' A' ' 128' ' ' LEU . 47.2 p-90 -136.86 -49.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 3.9 t80 -68.96 -88.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.6 mtm -175.68 164.72 3.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 mt-10 -54.48 134.02 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -163.19 176.13 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -125.69 31.36 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 30' ' ' LEU . 1.2 tt -70.59 150.43 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -145.61 35.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 41.88 71.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.67 122.92 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -67.15 141.89 57.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.18 28.31 72.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -92.76 174.26 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.574 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -142.58 113.1 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.644 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 11.3 p90 -135.97 137.97 41.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.34 162.44 16.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 tp -126.35 130.66 51.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -102.08 85.95 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.21 158.55 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.25 20.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -103.4 13.95 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.24 156.67 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 138.94 23.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.83 136.97 17.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.1 36.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 43.1 m -147.53 155.09 41.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -151.87 134.11 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.0 t -82.68 142.16 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 72' ' ' THR . 52.2 p -112.04 -33.84 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.78 134.34 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' CD1' ' A' ' 69' ' ' LEU . 4.4 p -165.31 106.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 105.85 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 58.57 167.39 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.0 69.3 5.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.4 pp -142.35 -47.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.637 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -140.53 127.97 21.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.881 ' CD1' HG23 ' A' ' 63' ' ' VAL . 19.5 tp -144.32 122.7 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 81' ' ' THR . 41.3 t -132.08 144.55 50.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.1 p90 -156.6 128.81 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 61' ' ' THR . 64.0 p -90.14 134.23 34.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 15.2 t90 -123.5 128.81 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 11.7 t0 88.83 -26.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p 44.3 50.24 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.6 t0 177.67 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.31 -90.6 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -143.3 167.06 23.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.6 141.71 51.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 96' ' ' VAL . 7.2 p -123.88 142.09 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 70' ' ' SER . 95.9 m -122.65 139.21 54.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 25.5 m-85 -99.47 154.11 18.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 68' ' ' LYS . 24.3 m-70 -140.73 115.78 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 HG12 ' A' ' 20' ' ' VAL . 3.1 mp -114.67 154.99 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -175.27 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.24 134.53 56.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.22 -168.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -129.09 60.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.91 38.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 17' ' ' ILE . 63.4 m -109.46 145.17 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.55 127.62 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HE2' HG11 ' A' ' 24' ' ' VAL . 3.8 t80 -119.66 128.29 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.4 m -128.9 140.45 51.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.47 142.92 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 80' ' ' VAL . 96.9 t -131.42 127.79 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 1.7 t-160 -126.55 126.51 43.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.5 m -134.47 156.13 49.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.53 -30.72 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -47.4 151.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 4' ' ' LEU . 25.6 mttp -108.64 -171.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.43 150.99 42.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' ' 4' ' ' LEU . . . -78.33 68.07 2.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -157.08 -47.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.1 t -63.77 166.54 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -110.33 167.29 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -106.48 114.31 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.28 64.76 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.17 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.81 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 105.53 18.9 11.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.42 161.52 41.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -49.76 162.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.3 t -67.9 -46.76 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.7 -44.24 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.462 ' CG1' ' NH2' ' A' ' 120' ' ' ARG . 49.8 t -56.38 -54.59 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 113' ' ' GLU . 63.3 t -61.94 -49.2 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.504 ' CE1' HG12 ' A' ' 7' ' ' ILE . 9.6 t60 -47.34 -57.02 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.07 -48.81 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' NH2' ' CG1' ' A' ' 116' ' ' VAL . 3.3 mtm-85 -51.55 -59.39 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -63.48 -41.07 98.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -52.53 -52.61 53.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -52.79 -62.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.28 59.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.522 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.1 m95 -58.52 -56.68 18.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.441 ' O ' ' ND2' ' A' ' 130' ' ' ASN . 2.0 t60 -60.56 -52.19 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.98 -41.29 64.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 33' ' ' TRP . 23.9 tp -63.52 -49.75 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.8 ' O ' HG21 ' A' ' 11' ' ' VAL . 8.2 p -94.22 38.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 126' ' ' HIS . 0.6 OUTLIER -121.13 -58.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.486 ' OE2' ' CZ ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -127.12 -42.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.486 ' CZ ' ' OE2' ' A' ' 131' ' ' GLU . 3.6 mmp_? -49.09 -34.47 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 129' ' ' VAL . 5.7 tp -87.04 -45.98 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.1 ttm180 -54.84 -35.4 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -28.89 69.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 32' ' ' PHE . 45.1 mm -62.73 -22.93 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 134' ' ' ARG . 31.2 m -110.57 -30.32 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.3 ttp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.541 0.21 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 3' ' ' ARG . 54.8 m 54.65 167.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' N ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -53.17 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.68 118.48 26.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.03 26.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.04 142.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 7' ' ' ILE . 36.4 mt -72.78 70.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -85.23 120.55 26.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 0.1 OUTLIER -129.59 163.01 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -150.07 147.23 27.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.852 HG11 ' O ' ' A' ' 129' ' ' VAL . 2.8 m -147.26 155.18 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -127.53 117.36 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 10.9 m-85 -119.45 149.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -86.15 112.19 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 169.49 165.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 130.18 13.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.3 -27.66 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -25.37 68.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -87.9 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.096 HG22 HG11 ' A' ' 137' ' ' VAL . 61.5 t -59.04 -34.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CH2' ' O ' ' A' ' 65' ' ' ARG . 41.1 t-105 -63.3 -50.57 69.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -29.45 70.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.42 -25.29 64.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 93' ' ' PHE . 18.6 m -108.6 13.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 p -114.5 -34.88 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 30' ' ' LEU . 31.4 p -95.26 163.74 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.425 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 m -82.48 -50.99 8.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.48 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.1 64.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -74.12 -58.89 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -51.57 -21.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -61.67 -18.56 60.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.512 ' CE2' HD13 ' A' ' 133' ' ' LEU . 58.0 p-90 -139.35 -50.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD11 ' A' ' 49' ' ' LEU . 10.1 t80 -68.45 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -175.44 160.59 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.1 mt-10 -52.17 136.97 29.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -164.25 -175.99 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.7 14.83 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 151.17 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -146.57 29.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 47.67 66.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -147.49 126.47 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -70.97 142.7 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.13 22.92 74.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -83.78 169.46 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.62 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -132.61 111.44 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 12.0 p90 -142.55 148.17 37.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -99.39 170.8 8.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 37' ' ' ASN . 2.3 tp -132.39 132.59 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -102.06 74.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 163.5 57.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.63 19.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.38 55.98 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.59 142.24 2.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.65 29.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.52 145.45 43.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.41 40.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 83.4 m -140.43 154.12 46.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -150.75 131.69 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 63' ' ' VAL . 21.9 t -73.46 140.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.679 ' CG2' HG23 ' A' ' 72' ' ' THR . 8.8 p -109.12 -32.43 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.6 132.14 10.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.8 p -163.41 109.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.65 104.95 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 56.16 170.34 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.0 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.5 pp -146.45 -46.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.5 tptp -135.99 131.71 35.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD1' HG23 ' A' ' 63' ' ' VAL . 15.4 tp -155.22 127.43 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.539 ' CB ' HG23 ' A' ' 81' ' ' THR . 3.0 t -146.7 150.26 35.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 80' ' ' VAL . 13.9 p90 -155.15 138.93 16.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.679 HG23 ' CG2' ' A' ' 61' ' ' THR . 69.3 p -87.91 154.18 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -147.46 131.82 17.56 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.12 169.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -119.85 43.22 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -102.12 -56.38 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -128.03 113.23 15.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.46 126.09 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 71' ' ' PHE . 2.4 p -109.76 142.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' CB ' ' A' ' 70' ' ' SER . 8.2 m -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -106.48 152.93 23.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -146.53 121.71 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mp -114.41 160.75 18.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -175.47 117.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.64 134.93 53.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.8 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -40.54 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.57 52.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.71 172.72 43.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 m -110.79 140.76 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 85' ' ' LYS . 30.4 mm -105.31 136.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.674 ' HE2' HG11 ' A' ' 24' ' ' VAL . 39.4 t80 -130.12 119.6 23.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.8 m -118.07 122.42 43.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -102.66 148.43 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' N ' HD13 ' A' ' 95' ' ' ILE . 36.7 t -144.36 128.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -136.3 111.61 9.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -109.06 173.88 6.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.89 60.48 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.403 ' CH2' ' HA ' ' A' ' 118' ' ' HIS . 45.0 m95 -140.5 177.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -128.24 -169.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HA ' ' CB ' ' A' ' 3' ' ' ARG . 5.7 mm100 -45.37 143.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.5 53.99 2.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.82 -46.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.2 p -53.45 175.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 12.7 tttm -124.36 149.37 46.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 49.3 t -79.32 113.17 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 3.0 pt-20 -82.02 62.29 5.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -175.1 -66.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.27 -62.84 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 118.93 52.69 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 172.23 156.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 117' ' ' VAL . 26.7 mt-10 -50.48 153.13 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 69.4 m -68.49 -23.54 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.3 -43.67 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.61 -54.16 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 113' ' ' GLU . 16.3 t -63.98 -44.45 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 114' ' ' SER . 2.8 t-160 -48.0 -51.92 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.78 -49.62 61.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -50.69 -59.67 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -43.08 95.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -55.09 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -56.74 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.39 99.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.535 ' O ' HG12 ' A' ' 129' ' ' VAL . 3.2 m95 -55.75 -54.92 38.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.509 ' CD2' ' ND2' ' A' ' 130' ' ' ASN . 9.7 t-160 -57.58 -52.93 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.14 -38.65 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.24 -48.73 76.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.852 ' O ' HG11 ' A' ' 11' ' ' VAL . 11.7 p -95.06 39.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.509 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.3 OUTLIER -121.02 -67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.5 -35.74 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -56.44 -37.73 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 129' ' ' VAL . 21.0 tp -84.81 -33.94 22.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttm180 -66.71 -35.29 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -10.35 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 32' ' ' PHE . 10.4 mm -83.3 -25.27 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.096 HG11 HG22 ' A' ' 20' ' ' VAL . 34.9 m -109.52 -23.46 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.484 0.183 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 m 63.0 154.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -86.35 179.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 101' ' ' LYS . 11.9 mt -94.82 117.08 66.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.36 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -91.8 136.09 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 7' ' ' ILE . 70.3 mt -72.12 61.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -97.13 119.7 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -129.9 165.95 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -149.76 132.64 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 129' ' ' VAL . 3.7 m -135.78 152.11 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -116.65 128.61 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HE2' HD23 ' A' ' 133' ' ' LEU . 24.0 m-85 -126.56 148.1 49.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 t-20 -89.05 110.51 21.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 171.39 163.04 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 124.54 8.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 66' ' ' PRO . 20.8 tt -50.8 -29.02 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -30.33 67.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -88.24 -56.41 3.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG11 ' A' ' 137' ' ' VAL . 21.1 t -52.72 -33.88 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 40.1 t-105 -64.82 -55.56 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' OE2' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -60.08 -25.55 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.53 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' TRP . 19.2 m -120.42 9.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -26.77 8.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' LEU . 63.9 p -95.14 177.51 5.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 m -94.38 -48.07 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.44 -39.32 92.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -39.8 91.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER -71.04 -54.74 10.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.95 -17.82 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.3 OUTLIER -62.88 -20.53 65.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CE2' HD13 ' A' ' 133' ' ' LEU . 35.9 p-90 -137.67 -49.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 49' ' ' LEU . 5.8 t80 -68.8 -89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -171.89 165.38 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 9.4 mt-10 -59.09 141.05 55.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -167.65 -178.34 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -125.25 21.27 8.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.58 154.24 11.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -147.57 22.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.484 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 51.73 65.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.4 tt0 -143.07 127.34 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -65.84 144.4 56.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.74 30.76 77.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -88.12 171.06 10.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -138.49 106.08 5.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.0 p90 -136.15 141.26 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -86.6 168.53 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.629 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 34' ' ' PHE . 6.6 tp -133.1 122.55 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -95.61 76.97 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.7 162.9 37.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.14 21.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.29 34.62 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.02 150.41 25.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.64 25.69 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -140.94 136.23 16.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.03 122.27 7.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 97.2 m -103.35 161.17 14.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -151.81 134.88 15.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.88 142.66 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.43 ' CG2' HG23 ' A' ' 72' ' ' THR . 35.6 p -110.7 -30.55 7.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -162.28 139.33 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.829 HG23 ' CD1' ' A' ' 69' ' ' LEU . 3.6 p -166.72 109.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.59 105.12 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 59.14 169.62 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.348 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.631 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 70.14 5.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 pp -146.77 -47.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -134.03 134.26 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.829 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.5 tp -157.08 123.15 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 81' ' ' THR . 31.9 t -140.65 148.3 40.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' HG13 ' A' ' 80' ' ' VAL . 19.2 p90 -156.2 135.02 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.43 HG23 ' CG2' ' A' ' 61' ' ' THR . 73.1 p -85.66 147.22 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 17.3 t90 -151.23 136.4 17.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 107.992 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t70 88.93 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 74' ' ' ASP . 67.4 p 46.52 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.21 -52.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.33 36.43 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -141.25 122.51 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.91 135.41 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -117.88 144.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 70' ' ' SER . 31.8 m -126.89 136.24 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.98 153.23 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -146.86 120.74 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -117.3 156.05 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.49 117.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -60.83 137.79 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -174.88 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.98 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.0 53.3 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.27 174.56 43.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -110.92 141.41 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 92' ' ' ILE . 22.2 mm -100.53 133.15 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CE1' HG21 ' A' ' 129' ' ' VAL . 5.2 t80 -126.36 115.31 19.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.1 m -119.27 136.73 54.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.33 146.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.28 109.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -127.92 114.91 17.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 m -119.26 174.9 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 54.47 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -139.49 164.8 28.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 4' ' ' LEU . 16.9 mttt -113.95 -169.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -57.91 149.34 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -73.63 78.52 0.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.89 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.781 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.1 t -47.45 174.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -134.13 156.61 48.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.33 123.47 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 61.01 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -76.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.22 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.15 -55.42 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.53 165.44 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 117' ' ' VAL . 1.4 mt-10 -63.87 170.91 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -70.34 -25.39 63.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.05 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.82 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 113' ' ' GLU . 47.1 t -65.23 -48.3 84.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 114' ' ' SER . 51.9 t60 -50.96 -52.01 46.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.78 -49.49 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.2 -61.62 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -46.49 80.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.17 -53.93 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -47.48 83.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.1 -36.36 92.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -64.83 -53.4 47.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.606 ' HA ' HG12 ' A' ' 129' ' ' VAL . 49.5 t60 -60.25 -55.04 38.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.95 -38.0 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 33' ' ' TRP . 37.0 tp -68.15 -32.5 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.841 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.9 p -107.7 34.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.11 -57.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -114.69 -55.17 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -39.79 -61.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 129' ' ' VAL . 16.7 tp -62.88 -43.85 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 5.3 ttm180 -52.79 -36.99 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.48 -27.74 68.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 32' ' ' PHE . 37.7 mm -65.17 -23.82 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.015 HG11 HG22 ' A' ' 20' ' ' VAL . 20.3 m -113.18 -12.8 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.509 0.195 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 2' ' ' THR . 7.8 t -41.24 108.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 165.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.1 mt -86.9 147.15 42.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 18.4 Cg_endo -74.92 -178.8 4.39 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.9 141.22 28.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 HG23 ' OD2' ' A' ' 122' ' ' ASP . 81.8 mt -84.93 69.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -94.05 122.95 37.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -131.6 166.44 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -148.45 149.8 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.908 HG21 HG22 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -147.34 157.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.65 116.08 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -115.42 145.58 42.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.2 m-20 -91.06 109.67 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 172.94 168.39 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 86' ' ' GLU . 11.8 tt -50.52 -28.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -26.22 66.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ALA . 57.9 tttt -83.76 -56.66 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.82 HG22 HG11 ' A' ' 137' ' ' VAL . 98.4 t -55.95 -44.72 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.611 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 30.4 t-105 -53.68 -54.53 36.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -24.72 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 20' ' ' VAL . . . -80.81 -10.6 59.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 ' HE2' ' A' ' 93' ' ' PHE . 11.3 m -121.97 6.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 39' ' ' LEU . 11.3 p -109.39 -30.82 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.0 p -97.96 167.56 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.58 -53.38 6.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -40.05 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.52 69.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -75.83 -60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -48.72 -23.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -58.83 -20.76 53.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.404 ' HE3' HD11 ' A' ' 128' ' ' LEU . 62.6 p-90 -139.22 -49.39 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.036 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.7 t80 -67.68 -92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.555 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 6.1 mtm -168.17 168.24 11.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.4 mt-10 -63.06 136.02 57.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.77 -174.64 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.97 32.43 4.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -66.6 149.94 49.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -148.38 33.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.55 68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.62 110.74 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 137.74 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.33 34.91 75.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -112.98 63.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -41.01 106.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 29.2 p90 -114.38 140.32 48.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.22 166.75 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.612 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 36' ' ' GLU . 20.6 tp -139.48 116.06 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -87.81 77.6 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -90.07 168.45 14.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.96 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.39 46.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.99 152.74 15.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.24 20.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -132.75 133.64 23.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' CA ' ' A' ' 74' ' ' ASP . 18.2 Cg_endo -75.03 131.39 14.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 85.0 m -114.33 166.66 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.81 148.16 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -96.39 139.8 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 72' ' ' THR . 68.8 p -110.65 -35.0 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -151.8 131.86 13.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 41' ' ' ALA . 2.6 p -159.95 110.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 65' ' ' ARG . 1.6 tt0 -155.42 104.04 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.611 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 4.6 mtm-85 54.35 168.29 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.04 72.24 4.75 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' GLU . 1.8 pp -144.59 -45.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -143.89 115.0 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -133.71 131.83 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.83 151.23 39.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 p90 -156.97 139.79 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 61' ' ' THR . 30.2 p -85.3 140.01 31.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -98.62 128.65 44.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.582 ' OD1' HG22 ' A' ' 75' ' ' THR . 11.4 t70 57.58 167.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.582 HG22 ' OD1' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -48.24 -32.31 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -177.38 111.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.36 -92.98 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -117.68 158.7 24.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.76 131.38 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 96' ' ' VAL . 14.8 p -122.71 144.72 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -126.01 135.5 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.87 150.53 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -138.26 115.2 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD21 HG12 ' A' ' 20' ' ' VAL . 2.5 mp -112.6 154.06 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -171.78 114.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -63.99 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -168.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.09 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -127.84 59.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.45 175.28 39.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.465 HG23 HD12 ' A' ' 17' ' ' ILE . 98.1 m -115.95 140.1 49.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -100.84 136.67 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.648 ' HE2' HG11 ' A' ' 24' ' ' VAL . 23.5 t80 -133.81 117.84 17.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -118.49 128.42 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.77 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -109.49 140.7 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 80' ' ' VAL . 83.2 t -133.01 125.01 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.534 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 4.0 t-160 -128.15 132.01 48.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -145.06 157.35 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.98 63.34 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -127.37 -179.78 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -117.34 -169.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -59.31 162.12 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.25 70.96 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -173.95 -48.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.741 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 p -45.43 163.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.4 OUTLIER -124.5 150.45 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 106' ' ' LYS . 67.8 t -82.89 98.58 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.12 62.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -167.08 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.18 -51.32 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 116' ' ' VAL . . . -65.07 166.31 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.97 163.08 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 118' ' ' HIS . 37.8 t -51.21 -35.97 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.417 ' CG1' ' HB1' ' A' ' 112' ' ' ALA . 73.7 t -56.96 -47.62 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.36 -47.62 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.475 ' HD2' HD11 ' A' ' 7' ' ' ILE . 4.7 t-80 -48.75 -51.39 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.34 -47.51 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -34.75 69.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' A' ' 7' ' ' ILE . 2.0 t70 -64.22 -52.8 57.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -60.48 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.41 60.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -59.76 -48.84 80.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -67.59 -51.12 54.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.558 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -54.67 -34.19 61.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HE3' ' A' ' 33' ' ' TRP . 51.1 tp -66.52 -54.45 23.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.908 HG22 HG21 ' A' ' 11' ' ' VAL . 11.5 p -91.37 38.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.99 -63.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -122.74 -39.37 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.416 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.3 mmt180 -52.61 -37.5 58.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.755 HD23 HG23 ' A' ' 129' ' ' VAL . 13.2 tp -82.73 -45.63 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' CD ' ' HG3' ' A' ' 138' ' ' GLU . 1.2 ttt180 -55.11 -33.78 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -10.94 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' A' ' 32' ' ' PHE . 35.8 mm -81.13 -25.99 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.82 HG11 HG22 ' A' ' 20' ' ' VAL . 31.1 m -110.57 -23.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.488 0.185 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -118.06 42.9 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.79 176.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 101' ' ' LYS . 14.3 mt -90.37 151.71 44.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.23 31.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.4 123.98 27.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' OD1' ' A' ' 122' ' ' ASP . 50.2 mt -69.89 73.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.04 120.06 39.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' CG ' ' A' ' 126' ' ' HIS . 40.6 mmtt -125.8 161.47 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 148.37 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.713 HG11 ' O ' ' A' ' 129' ' ' VAL . 11.7 m -148.53 161.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.38 113.58 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 11' ' ' VAL . 13.5 m-85 -113.11 149.71 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.19 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -176.06 164.73 1.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.46 9.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 10.8 tt -50.39 -28.25 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.68 -31.44 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -84.5 -56.26 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.125 HG22 HG11 ' A' ' 137' ' ' VAL . 24.7 t -55.96 -33.93 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 25.0 t-105 -62.84 -53.14 58.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.034 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.78 -12.85 39.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG11 ' HE2' ' A' ' 93' ' ' PHE . 6.0 m -124.42 15.86 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' HD23 ' A' ' 39' ' ' LEU . 4.9 p -113.75 -38.22 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.785 ' O ' HD12 ' A' ' 30' ' ' LEU . 10.5 p -90.76 -178.33 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.7 m -95.19 -47.2 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.97 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.64 -32.04 55.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.912 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -76.98 -56.07 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -56.16 -18.08 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.2 OUTLIER -63.01 -22.95 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.625 ' O ' HD11 ' A' ' 128' ' ' LEU . 46.6 p-90 -135.15 -49.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 107.962 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 35' ' ' MET . 2.1 t80 -66.98 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.479 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.8 OUTLIER -174.17 164.28 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -56.51 139.38 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.821 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -175.93 -172.03 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -136.32 28.19 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.912 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -44.16 150.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -144.57 118.62 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . -61.2 81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.3 tt0 -165.25 103.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.14 133.54 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.48 31.25 51.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.408 ' CE1' ' CB ' ' A' ' 40' ' ' LYS . 75.3 t60 -90.7 157.63 17.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.602 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.55 130.26 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.9 p90 -158.04 159.24 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -101.2 170.61 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 37' ' ' ASN . 6.2 tp -134.02 149.69 51.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -109.67 79.88 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.28 164.32 27.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.71 16.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.16 43.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.48 155.88 27.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.23 143.78 50.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -74.97 155.66 43.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 85.2 m -143.06 156.27 44.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -149.25 132.55 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.36 128.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.55 ' CG2' HG23 ' A' ' 72' ' ' THR . 60.6 p -93.67 -35.27 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.25 134.05 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.919 HG23 ' CD1' ' A' ' 69' ' ' LEU . 5.1 p -160.74 107.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.33 104.87 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.6 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 55.66 167.08 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.3 Cg_endo -74.99 67.46 5.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.6 pp -139.9 -46.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.804 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.7 tttt -143.07 120.12 11.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.919 ' CD1' HG23 ' A' ' 63' ' ' VAL . 11.9 tp -142.49 138.75 31.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.496 ' HB2' HG23 ' A' ' 81' ' ' THR . 5.8 t -152.65 156.09 38.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.866 ' CE2' HG13 ' A' ' 80' ' ' VAL . 17.9 p90 -157.24 138.74 13.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.55 HG23 ' CG2' ' A' ' 61' ' ' THR . 35.1 p -89.03 152.86 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.66 ' CZ2' ' CD2' ' A' ' 49' ' ' LEU . 2.9 t90 -117.78 128.08 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.034 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' PRO . 20.3 t0 64.73 -175.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.2 p -57.96 -45.52 86.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -177.97 113.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.47 -92.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -107.79 146.07 32.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.49 46.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.866 HG13 ' CE2' ' A' ' 71' ' ' PHE . 3.1 p -126.82 141.2 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 70' ' ' SER . 30.2 m -117.11 138.34 51.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -107.46 145.05 33.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -139.52 124.59 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 20' ' ' VAL . 1.1 mp -121.02 159.5 25.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 2.6 ptmt -176.57 115.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 135.96 56.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -42.05 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -128.19 54.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.92 171.32 41.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -108.92 143.62 37.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 14.5 mm -102.21 134.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HE2' HG11 ' A' ' 24' ' ' VAL . 15.9 t80 -127.7 118.71 24.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.6 m -126.99 122.75 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -110.04 144.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.3 t -135.49 104.95 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -108.48 114.77 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -134.04 162.38 32.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.67 49.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -127.31 165.59 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.9 mttt -103.05 -160.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -66.05 151.23 47.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.28 57.64 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.77 -57.61 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -68.17 147.16 52.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -169.61 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 112' ' ' ALA . 22.2 t -87.54 136.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -95.19 59.33 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.5 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.43 -71.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 141.9 -24.7 2.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 107' ' ' VAL . . . -75.02 178.89 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.798 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.75 138.82 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -52.65 -25.54 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.06 -52.21 13.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.26 -45.11 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.73 -45.4 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.24 67.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -65.21 -49.59 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -63.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -55.2 -42.36 73.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.781 ' OD1' HG23 ' A' ' 7' ' ' ILE . 13.1 t70 -52.58 -45.32 66.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -57.52 -57.19 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.98 -30.3 77.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.664 ' O ' HG12 ' A' ' 129' ' ' VAL . 5.1 m95 -64.34 -45.56 87.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 7.3 t60 -66.23 -55.3 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.91 -42.26 65.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.625 HD11 ' O ' ' A' ' 33' ' ' TRP . 26.6 tp -61.7 -44.29 97.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.713 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.7 p -98.31 38.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.452 HD21 ' CE1' ' A' ' 126' ' ' HIS . 0.4 OUTLIER -121.63 -67.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -34.52 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -56.89 -37.4 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.668 HD23 HG23 ' A' ' 129' ' ' VAL . 18.2 tp -86.49 -33.63 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' GLU . 2.6 ttt180 -62.2 -41.72 98.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.96 -29.32 65.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 32' ' ' PHE . 36.8 mm -58.95 -28.47 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.125 HG11 HG22 ' A' ' 20' ' ' VAL . 33.8 m -112.49 -15.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.76 127.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.72 163.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.4 mt -124.31 138.57 31.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 18.2 Cg_endo -75.02 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -101.05 137.03 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' ILE . 76.5 mt -75.03 62.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -88.87 123.79 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -136.2 156.1 49.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -139.31 141.15 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -138.49 161.04 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -126.71 121.87 33.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' HE2' HD23 ' A' ' 133' ' ' LEU . 23.0 m-85 -118.22 149.6 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.1 m-20 -93.21 100.88 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . 179.91 163.65 0.85 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.15 8.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.506 HD12 HG23 ' A' ' 91' ' ' THR . 18.6 tt -48.25 -30.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -30.31 64.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -87.32 -54.84 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 137' ' ' VAL . 88.5 t -53.96 -42.39 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.625 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 38.2 t-105 -58.27 -55.18 38.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.32 -25.6 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.16 -13.24 60.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 HD11 ' A' ' 84' ' ' LEU . 32.6 m -123.23 15.55 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.15 9.13 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -132.17 165.06 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 m -79.31 -50.27 11.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.06 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 -41.85 40.62 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.64 -56.39 5.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HA ' ' C ' ' A' ' 35' ' ' MET . . . -54.04 -19.35 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.694 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.11 -23.55 66.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.948 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.438 ' O ' HD11 ' A' ' 128' ' ' LEU . 48.0 p-90 -134.64 -49.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.026 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 49' ' ' LEU . 4.7 t80 -67.27 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.511 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -174.44 165.13 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.13 133.94 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 p30 -158.92 -178.83 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -129.24 29.45 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 30' ' ' LEU . 2.6 tt -71.72 152.0 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -148.17 36.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 45.46 66.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.8 125.06 10.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -70.1 152.43 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.68 16.18 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -81.35 159.38 24.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.559 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -126.07 105.05 8.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 58' ' ' CYS . 16.5 p90 -131.37 136.86 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.68 172.48 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 tp -137.09 131.83 33.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -100.05 75.27 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.61 162.87 56.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.17 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -106.82 26.8 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.45 154.71 27.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.56 27.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.96 145.83 44.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.48 28.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 60.1 m -134.11 150.11 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -147.29 144.25 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG11 ' CG1' ' A' ' 63' ' ' VAL . 42.4 t -89.32 138.36 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.0 p -108.88 -27.05 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.52 131.14 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.0 p -162.45 106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -155.16 104.86 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.4 mtm180 57.69 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.333 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.953 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -143.04 -47.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.953 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -139.94 123.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.731 ' CD1' HG23 ' A' ' 63' ' ' VAL . 16.8 tp -143.89 130.25 19.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 81' ' ' THR . 3.7 t -146.1 148.25 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG13 ' A' ' 80' ' ' VAL . 17.0 p90 -157.08 137.47 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.7 p -88.08 146.72 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -139.45 129.54 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.88 174.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.5 p -128.57 52.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.28 -39.6 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.47 49.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -135.26 122.69 21.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 129.98 31.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' CE1' ' A' ' 71' ' ' PHE . 3.9 p -114.58 140.21 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 70' ' ' SER . 7.1 m -123.81 138.34 54.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HD2' HD23 ' A' ' 69' ' ' LEU . 22.3 m-85 -110.09 143.93 39.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.55 118.11 16.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 HG21 ' A' ' 24' ' ' VAL . 2.5 mp -110.29 155.78 21.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HD2' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -172.58 116.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.02 134.14 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.28 -167.79 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -39.23 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -123.14 56.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.98 177.08 45.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.506 HG23 HD12 ' A' ' 17' ' ' ILE . 85.6 m -116.17 134.25 55.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HD2' ' A' ' 85' ' ' LYS . 22.6 mm -93.26 126.54 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.843 ' CE2' HD21 ' A' ' 133' ' ' LEU . 2.2 t80 -118.4 119.21 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -119.17 139.62 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.621 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -125.26 139.86 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 t -134.0 135.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -136.62 126.24 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 m -139.72 173.93 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.66 35.65 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -101.47 -178.72 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -118.84 -142.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.53 155.42 19.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 47.1 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.02 37.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -136.64 11.36 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' THR . 9.6 tttm 52.8 174.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.19 121.34 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -87.07 46.2 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -159.1 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.99 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 126.98 47.7 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 174.45 -173.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 117' ' ' VAL . 57.9 mt-10 -66.52 146.99 53.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 p -66.97 -37.47 84.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.98 97.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.95 -50.18 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 113' ' ' GLU . 77.2 t -61.13 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -51.37 -48.25 62.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.14 -48.89 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.86 -62.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -53.35 -45.89 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.05 -54.88 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -53.47 35.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' LEU . . . -65.31 -26.99 71.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' MET . 1.6 m95 -69.35 -54.71 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.489 ' HA ' HG12 ' A' ' 129' ' ' VAL . 7.3 t-160 -62.02 -55.04 33.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -52.8 -37.6 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 124' ' ' GLY . 27.1 tp -65.69 -26.13 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.814 ' O ' HG21 ' A' ' 11' ' ' VAL . 1.8 p -118.0 32.73 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.12 -50.62 2.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.79 -53.75 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -40.52 -60.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.843 HD21 ' CE2' ' A' ' 93' ' ' PHE . 54.3 tp -64.96 -40.9 95.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 4.5 ttm180 -52.45 -33.13 42.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -32.33 59.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.694 HD12 ' CG ' ' A' ' 32' ' ' PHE . 45.5 mm -55.24 -22.17 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 20' ' ' VAL . 31.6 m -113.3 -36.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.535 0.207 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 3' ' ' ARG . 78.4 m 65.08 166.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' HG22 ' A' ' 2' ' ' THR . 4.7 ttm180 63.47 141.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD22 ' CG ' ' A' ' 118' ' ' HIS . 68.8 mt -42.27 116.38 1.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.16 130.33 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 7' ' ' ILE . 92.3 mt -76.8 59.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -84.78 119.39 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -128.89 162.45 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -143.21 138.38 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.869 HG11 ' O ' ' A' ' 129' ' ' VAL . 28.8 m -135.24 156.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.95 121.63 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 11.9 m-85 -126.84 151.03 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.664 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -87.2 118.4 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 165.27 164.62 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.064 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 91' ' ' THR . 9.1 tt -49.91 -25.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -45.24 94.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -53.13 39.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.055 HG22 HG11 ' A' ' 137' ' ' VAL . 88.6 t -57.54 -44.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' A' ' 66' ' ' PRO . 39.9 t-105 -56.91 -55.88 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.954 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -25.42 65.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 20' ' ' VAL . . . -73.35 -26.79 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 93' ' ' PHE . 8.4 m -108.92 13.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -114.36 -29.48 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.7 p -95.71 162.68 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.2 m -80.17 -46.98 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.58 80.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.22 -39.99 61.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -71.97 -54.84 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.14 -17.63 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.5 OUTLIER -64.7 -26.98 68.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.469 ' HE3' HD11 ' A' ' 128' ' ' LEU . 56.9 p-90 -128.17 -50.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.2 t80 -68.24 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -176.42 161.67 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.3 mt-10 -46.99 140.12 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.6 p30 -167.83 178.27 5.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.34 26.58 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.75 152.92 44.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.82 35.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 42.97 65.76 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -143.23 117.04 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.43 138.54 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.29 96.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 46' ' ' HIS . 7.0 t60 -99.7 171.36 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 45' ' ' HIS . 10.9 p80 -132.47 111.43 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 4.8 p90 -141.23 135.92 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -90.1 169.64 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 34' ' ' PHE . 3.2 tp -132.55 136.12 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -103.21 76.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -87.75 165.25 30.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -41.74 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.83 48.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 138.39 3.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.14 31.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.13 145.15 37.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.94 25.87 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 62.4 m -150.01 156.76 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -152.04 119.21 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.46 144.81 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -112.86 -31.97 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.18 136.99 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.953 HG23 ' CD1' ' A' ' 69' ' ' LEU . 7.3 p -165.82 107.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -154.39 104.69 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER 58.88 168.09 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -75.01 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.1 pp -143.01 -47.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 10.4 tttt -136.58 140.55 42.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' HG23 ' A' ' 63' ' ' VAL . 13.4 tp -158.32 128.09 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 81' ' ' THR . 12.5 t -143.87 150.58 38.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.812 ' CE2' HG13 ' A' ' 80' ' ' VAL . 9.5 p90 -156.69 139.47 15.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -86.37 157.31 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -151.13 135.88 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 59.85 174.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.1 p -118.49 39.73 3.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -28.03 11.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.87 38.77 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 100' ' ' TRP . 14.3 m0 -111.13 113.18 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.31 140.28 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.812 HG13 ' CE2' ' A' ' 71' ' ' PHE . 2.2 p -126.12 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 70' ' ' SER . 8.2 m -121.83 133.7 54.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -106.15 142.84 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -126.86 117.02 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mp -111.22 153.52 25.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.71 114.09 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.18 134.43 57.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -174.32 2.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -40.67 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -128.27 60.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.24 -179.33 42.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.431 HG23 HD12 ' A' ' 17' ' ' ILE . 54.2 m -117.08 144.26 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.42 137.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE2' HG11 ' A' ' 24' ' ' VAL . 16.4 t80 -131.74 122.36 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -122.32 127.46 49.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -108.66 146.18 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.3 t -138.83 128.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -131.91 130.06 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.639 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -137.67 171.87 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.49 59.01 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.732 ' CH2' ' CH2' ' A' ' 78' ' ' TRP . 29.0 m95 -134.66 175.98 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -127.16 -162.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -55.5 170.14 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.53 -45.15 11.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -56.15 -55.98 26.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.4 p -39.07 144.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -103.78 158.22 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.88 108.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.85 59.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -162.14 -61.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.88 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.75 -41.16 1.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.48 156.02 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -53.3 164.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -66.03 -21.9 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.37 -51.71 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.1 -45.74 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.5 -48.27 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.488 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 15.8 t60 -47.46 -56.76 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.576 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.24 -47.32 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -64.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -50.83 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 118' ' ' HIS . 31.9 t70 -51.71 -47.44 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -47.23 83.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -62.61 -42.12 99.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.587 ' O ' HG12 ' A' ' 129' ' ' VAL . 6.7 m95 -56.08 -55.97 26.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.84 -53.47 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.32 -44.52 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 33' ' ' TRP . 11.1 tp -61.64 -50.28 73.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.869 ' O ' HG11 ' A' ' 11' ' ' VAL . 9.0 p -91.5 35.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.05 -65.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ARG . 1.0 OUTLIER -107.27 -59.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' GLU . 1.2 mmp_? -36.66 -60.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 129' ' ' VAL . 17.5 tp -59.71 -48.4 81.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 3.4 ttm-85 -52.4 -32.7 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -27.94 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 32' ' ' PHE . 43.3 mm -60.38 -25.2 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.055 HG11 HG22 ' A' ' 20' ' ' VAL . 27.9 m -109.67 -24.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.725 ' O ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 1' ' ' MET . 14.9 t 49.62 -175.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.82 152.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.84 154.54 50.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 164.97 32.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.0 141.13 45.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mt -80.79 66.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -97.98 121.69 40.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' ND1' ' A' ' 126' ' ' HIS . 46.2 mmtt -126.79 163.52 23.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -149.29 134.88 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 129' ' ' VAL . 1.2 m -133.2 161.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.99 129.04 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 134' ' ' ARG . 17.7 m-85 -127.71 144.29 51.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.92 99.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -178.11 163.8 1.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 128.37 11.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' TRP . 12.9 tt -52.22 -26.39 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -34.08 76.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -56.62 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG11 ' A' ' 137' ' ' VAL . 11.6 t -57.67 -43.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ3' ' HA ' ' A' ' 66' ' ' PRO . 32.5 t-105 -53.89 -51.12 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.13 -25.25 66.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.08 -15.95 60.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.0 m -116.92 8.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 4.3 p -111.81 -29.15 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 30' ' ' LEU . 39.9 p -95.17 173.4 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -89.87 -51.67 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -35.73 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.03 -38.81 55.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -73.07 -55.52 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.54 -18.23 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.68 ' HB3' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.8 -25.16 68.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.437 ' CE2' HD13 ' A' ' 133' ' ' LEU . 40.0 p-90 -132.09 -49.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' MET . 3.5 t80 -68.31 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 1.3 mtm -174.52 163.17 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 2.0 mm-40 -51.46 141.41 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -169.82 176.98 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -124.59 26.02 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -65.14 153.12 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -145.39 22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 25' ' ' SER . . . 55.65 65.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.09 133.01 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 t -75.95 145.6 40.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.57 69.92 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -84.83 168.72 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -138.36 112.6 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.63 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 3.7 p90 -132.89 136.94 46.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -82.38 169.08 16.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD22 ' NE1' ' A' ' 73' ' ' TRP . 1.9 tp -129.93 137.87 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -113.24 75.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -86.31 161.37 49.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.99 21.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.15 47.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.09 141.53 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.74 34.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -141.06 138.0 17.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.0 141.1 26.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 57.3 m -125.84 159.01 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -151.08 136.14 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 63' ' ' VAL . 17.4 t -84.89 136.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.5 p -104.61 -33.02 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.44 131.23 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.727 HG23 ' CD1' ' A' ' 69' ' ' LEU . 1.8 p -156.61 110.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 105.05 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 3.9 mtm180 57.35 165.24 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.2 Cg_endo -75.03 55.24 3.9 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.49 -38.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -153.99 116.22 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.727 ' CD1' HG23 ' A' ' 63' ' ' VAL . 17.3 tp -133.86 128.38 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -134.43 144.22 48.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.701 ' CE1' ' CE2' ' A' ' 82' ' ' PHE . 4.3 p90 -157.15 132.82 9.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -92.83 140.54 29.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.592 ' NE1' HD22 ' A' ' 49' ' ' LEU . 11.6 t90 -130.13 128.84 42.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 73' ' ' TRP . 9.5 t0 87.98 -21.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 33.7 p 36.75 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . 3.7 t70 -170.49 34.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.16 -94.15 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -137.76 165.31 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.36 138.37 53.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 ' CE1' ' A' ' 71' ' ' PHE . 5.8 p -116.82 144.62 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 m -121.74 139.07 54.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 20.1 m-85 -104.18 147.04 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -141.08 115.19 9.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mp -113.28 157.88 21.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -170.73 114.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 129.48 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.64 178.96 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -59.84 4.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -50.36 -50.6 50.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.15 -127.47 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -108.61 149.6 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mm -114.12 135.98 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 133' ' ' LEU . 4.4 t80 -129.14 126.49 39.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.2 m -128.83 135.57 49.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.43 HG21 HG11 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -116.65 142.78 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.66 110.7 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -120.15 118.91 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 157.81 41.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.85 58.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -137.64 174.39 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -133.98 -156.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 2.8 pt20 -61.74 140.66 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.89 80.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLN . 3.7 t70 178.12 -50.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 102' ' ' GLN . 25.2 p -51.21 101.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -54.98 156.93 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.9 t -87.93 112.69 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.31 52.91 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -165.88 -75.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.57 -58.08 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . 113.08 52.32 0.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' GLY . . . 175.77 154.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.58 160.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -70.98 -39.09 72.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.67 97.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.5 t -60.26 -52.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.08 -47.13 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -47.79 -52.99 16.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -66.14 -50.58 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -49.49 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.14 -54.7 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -48.11 -61.09 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.25 88.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.652 ' O ' HG12 ' A' ' 129' ' ' VAL . 2.1 m95 -56.51 -50.97 70.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 9' ' ' LYS . 2.1 t60 -66.02 -49.75 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.629 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.06 -42.23 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 33' ' ' TRP . 42.4 tp -59.81 -52.71 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.849 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.7 p -91.46 40.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 -67.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -34.23 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -37.67 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.753 HD23 HG23 ' A' ' 129' ' ' VAL . 17.2 tp -85.08 -45.11 12.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 137' ' ' VAL . 8.2 ttm180 -53.32 -35.88 60.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -28.14 69.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 32' ' ' PHE . 40.3 mm -63.37 -22.77 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.012 HG11 HG22 ' A' ' 20' ' ' VAL . 31.2 m -110.85 -31.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.362 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.469 ' C ' HG23 ' A' ' 2' ' ' THR . 19.0 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 1' ' ' MET . 23.2 p -156.21 111.37 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 2' ' ' THR . 0.3 OUTLIER 55.36 172.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.79 152.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 138.92 23.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -54.78 141.07 34.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 7' ' ' ILE . 87.4 mt -81.64 61.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -87.7 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 126' ' ' HIS . 60.6 mmtt -135.77 153.79 51.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -144.15 132.4 21.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.891 HG21 ' O ' ' A' ' 129' ' ' VAL . 0.7 OUTLIER -131.46 159.71 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -126.06 122.18 35.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 134' ' ' ARG . 17.7 m-85 -122.54 148.91 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -85.3 104.15 14.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ASN . . . 177.66 162.05 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 126.39 9.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -50.91 -25.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -37.49 84.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -75.27 -56.06 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.023 HG22 HG11 ' A' ' 137' ' ' VAL . 21.6 t -54.97 -41.34 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' C ' ' A' ' 65' ' ' ARG . 40.6 t-105 -60.42 -46.49 89.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -24.0 63.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -10.82 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.8 m -120.44 8.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 28.9 p -118.27 -4.61 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.9 p -122.17 162.27 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -46.63 34.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.73 -37.14 40.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD1' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -74.9 -56.08 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 36' ' ' GLU . . . -55.39 -18.68 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.736 ' CG ' HD12 ' A' ' 136' ' ' ILE . 0.1 OUTLIER -62.37 -21.93 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.441 ' O ' HD11 ' A' ' 128' ' ' LEU . 59.2 p-90 -136.42 -49.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CG ' ' N ' ' A' ' 35' ' ' MET . 6.3 t80 -69.16 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -172.49 165.74 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -58.33 135.8 57.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -159.37 -174.59 4.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -127.4 27.4 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.609 HD22 ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.12 151.76 46.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -150.28 22.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . 55.23 66.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' N ' HG11 ' A' ' 63' ' ' VAL . 1.8 tt0 -150.95 109.87 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -53.1 138.09 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.22 30.75 66.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -107.55 82.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -57.87 106.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' CYS . 40.4 p90 -115.91 142.65 46.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -79.88 157.23 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 34' ' ' PHE . 8.6 tp -128.44 132.37 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -105.01 74.97 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -82.55 163.02 53.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.51 19.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 44.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.33 145.88 9.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.62 23.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.71 145.51 53.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.69 20.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 38.6 m -128.91 160.05 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -153.02 141.9 21.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.74 136.05 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.761 ' CG2' HG23 ' A' ' 72' ' ' THR . 16.1 p -104.61 -28.47 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.344 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.96 134.01 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG21 ' HA ' ' A' ' 41' ' ' ALA . 7.4 p -162.56 106.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.61 104.87 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.606 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER 56.72 166.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.99 58.99 5.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.048 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.893 HD12 ' N ' ' A' ' 68' ' ' LYS . 2.8 pp -133.41 -45.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.893 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -138.37 125.29 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.834 ' CD1' HG23 ' A' ' 63' ' ' VAL . 18.5 tp -149.7 135.85 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.716 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.4 t -152.71 156.02 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 p90 -156.87 141.61 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' CG2' ' A' ' 61' ' ' THR . 76.9 p -87.85 149.45 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -121.71 127.02 50.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.15 159.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.3 p -39.45 -46.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.42 112.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.92 -94.84 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -114.49 157.89 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.61 130.9 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.697 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 12.5 p -113.43 145.16 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 70' ' ' SER . 9.9 m -129.2 131.1 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 54.2 m-85 -102.31 149.79 23.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -141.19 113.81 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.58 155.88 19.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -168.66 121.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -69.54 140.0 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 -170.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.53 -76.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -128.18 61.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 168.7 172.41 35.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -108.76 145.63 34.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 85' ' ' LYS . 17.7 mm -108.85 126.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 133' ' ' LEU . 9.0 t80 -116.51 118.76 33.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -122.13 134.02 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.35 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -142.09 120.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 3.3 t-160 -120.14 137.96 53.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.6 m -148.37 161.09 42.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.29 -13.34 4.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -65.98 162.75 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -118.71 -170.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.479 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -42.43 134.37 3.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -70.55 58.49 0.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 -48.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 102' ' ' GLN . 4.7 t -55.37 139.37 43.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -89.25 152.18 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 40.2 t -86.69 95.49 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -73.21 66.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.21 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.6 -58.17 0.42 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 116' ' ' VAL . . . -86.02 158.22 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.609 ' O ' HG23 ' A' ' 117' ' ' VAL . 62.0 mt-10 -56.98 169.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -66.66 -35.48 80.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.07 25.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.432 ' CG1' ' HB1' ' A' ' 112' ' ' ALA . 24.5 t -51.84 -49.35 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 113' ' ' GLU . 67.4 t -66.15 -43.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -48.31 -51.13 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.6 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -65.38 -49.52 68.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -64.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.79 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.13 -46.89 85.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -51.7 -52.15 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -69.66 -36.36 75.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.588 ' O ' HG12 ' A' ' 129' ' ' VAL . 4.9 m95 -57.92 -54.55 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.491 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t-160 -63.01 -53.13 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.85 -38.68 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 33' ' ' TRP . 59.1 tp -63.24 -52.16 63.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.891 ' O ' HG21 ' A' ' 11' ' ' VAL . 14.1 p -92.32 38.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.413 HD21 ' CD2' ' A' ' 126' ' ' HIS . 0.5 OUTLIER -121.39 -56.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.39 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -50.08 -36.23 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.646 HD23 HG23 ' A' ' 129' ' ' VAL . 31.2 tp -83.86 -46.83 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.582 ' O ' HG22 ' A' ' 137' ' ' VAL . 9.0 ttp-105 -49.36 -39.06 30.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.25 -42.94 99.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.736 HD12 ' CG ' ' A' ' 32' ' ' PHE . 36.3 mm -46.13 -27.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 1.023 HG11 HG22 ' A' ' 20' ' ' VAL . 33.3 m -110.2 -25.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 stop_ save_