data_1pux_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 1pux _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD2' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' NH2' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.535 HD13 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 7' ' ' LEU . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.584 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 70' ' ' LYS . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' ' HA ' ' A' ' 70' ' ' LYS . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.502 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.472 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.441 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 100' ' ' THR . 2.9 m80 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 108' ' ' ILE . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 39' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.501 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 31' ' ' PHE . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.489 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.489 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.492 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.551 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 99' ' ' LEU . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.576 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.516 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.634 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.522 HD21 ' N ' ' A' ' 99' ' ' LEU . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 102' ' ' PHE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.634 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.485 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 2.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.567 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.491 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 10' ' ' ASP . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' HD12 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' O ' ' CE ' ' A' ' 55' ' ' MET . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.492 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.403 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CG1' ' HE1' ' A' ' 89' ' ' MET . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.529 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.546 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.511 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.466 HG21 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 90' ' ' ILE . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.488 ' HE1' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.511 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' A' ' 90' ' ' ILE . 56.6 p-80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.495 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.2 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 9' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD2' HD12 ' A' ' 76' ' ' ILE . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.497 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD2' ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 81' ' ' MET . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG12 ' CG ' ' A' ' 89' ' ' MET . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.509 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.51 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.524 ' NE ' ' O ' ' A' ' 49' ' ' ASP . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.492 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.574 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.486 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.437 ' CG ' HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.548 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.525 ' CG2' ' CD1' ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.548 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 79' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.542 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.573 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.58 ' CD1' ' CE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 10' ' ' ASP . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CZ ' HG13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.474 HG13 ' CZ ' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.58 ' CE1' ' CD1' ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.0 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.503 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' GLY . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' CG2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 55' ' ' MET . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' C ' HD21 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.474 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' CE ' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.451 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 102' ' ' PHE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CE1' HG21 ' A' ' 100' ' ' THR . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 8.1 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CD2' HG21 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.673 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.772 ' CE1' ' CG2' ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.772 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' HG11 ' A' ' 9' ' ' VAL . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.509 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LEU . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.558 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' CD ' HD21 ' A' ' 50' ' ' LEU . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.538 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.542 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.655 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 ' CZ ' ' A' ' 102' ' ' PHE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.655 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 8.8 p-80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CZ ' HG22 ' A' ' 100' ' ' THR . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.496 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 108' ' ' ILE . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.574 HD12 ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ASN . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 108' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.753 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.753 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD23 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.569 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' CD2' ' HE1' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.596 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 53' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 51' ' ' VAL . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.507 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.641 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.602 HG23 ' CE1' ' A' ' 102' ' ' PHE . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.598 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG12 ' CZ ' ' A' ' 112' ' ' ARG . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.508 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.508 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.484 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.402 ' HE1' ' CG ' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.613 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.613 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 20.7 p-80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.47 ' CZ ' HG12 ' A' ' 22' ' ' VAL . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 20.9 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.753 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.753 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HD11 ' A' ' 50' ' ' LEU . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 77' ' ' ARG . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.562 ' CE ' ' N ' ' A' ' 55' ' ' MET . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.506 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG1' ' HE3' ' A' ' 89' ' ' MET . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.483 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.486 ' CG ' HD13 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.555 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.471 ' HE3' ' CG1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.524 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.524 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.631 ' CB ' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.631 ' CE1' ' CB ' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.483 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD11 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 47' ' ' ARG . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD2' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CG1' ' HE2' ' A' ' 89' ' ' MET . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.532 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.454 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' LYS . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.464 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.454 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 90' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE2' HD12 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.488 ' CD2' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' NH2' ' CG1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.523 ' CG1' ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.698 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.702 ' CE1' ' CG2' ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.702 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.8 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.488 HG23 ' CD2' ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 49' ' ' ASP . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 55' ' ' MET . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' HD21 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG1' ' HE3' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.535 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.497 ' CD ' HD13 ' A' ' 50' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 77' ' ' ARG . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.493 HD11 ' CG2' ' A' ' 100' ' ' THR . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.475 ' HE3' ' CG1' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.525 HG23 ' CD2' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.552 HD21 ' N ' ' A' ' 99' ' ' LEU . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.493 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.525 ' CD2' HG23 ' A' ' 90' ' ' ILE . 40.2 p-80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.479 ' CZ ' HD11 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.469 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.456 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.533 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 17' ' ' ILE . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.1 t30 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.752 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.752 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 HG21 ' CD1' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 55' ' ' MET . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' HD21 ' A' ' 53' ' ' LEU . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.562 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.48 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.481 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' NE ' ' HG ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.521 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' MET . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.615 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.586 ' HG ' ' NE ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 102' ' ' PHE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.615 ' CD2' ' CG2' ' A' ' 90' ' ' ILE . 47.2 p-80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 100' ' ' THR . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 13.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.489 ' CG1' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.476 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.755 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.755 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CB ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.519 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CG2' HD12 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.609 ' CD2' ' CE ' ' A' ' 81' ' ' MET . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.549 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 60' ' ' MET . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.487 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.507 ' CG ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.504 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.565 ' CD1' ' CG2' ' A' ' 100' ' ' THR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.526 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.609 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.672 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.632 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.565 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.632 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.495 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 23' ' ' PHE . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 19' ' ' LEU . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 9' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD13 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.478 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 9' ' ' VAL . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.579 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.471 ' CE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.453 ' CE ' HG12 ' A' ' 63' ' ' ILE . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 10.4 p-80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.543 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' CD2' ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 6' ' ' ILE . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' LEU . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 77' ' ' ARG . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HD23 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.666 ' HB ' ' HA2' ' A' ' 62' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD23 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.524 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.494 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.556 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.475 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.535 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.501 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.556 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.535 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.404 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 6.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLY . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.501 ' O ' ' CE ' ' A' ' 55' ' ' MET . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' C ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.566 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.46 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.645 ' NE ' ' HG ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.501 ' N ' HD22 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.41 ' SD ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.528 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 HD22 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.645 ' HG ' ' NE ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 102' ' ' PHE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.528 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.6 p-80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.546 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.7 t30 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.757 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.757 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.54 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' OE2' ' CD2' ' A' ' 31' ' ' PHE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD11 ' CD ' ' A' ' 77' ' ' ARG . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.501 HG12 ' CE ' ' A' ' 60' ' ' MET . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.531 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.516 ' CD ' HD11 ' A' ' 50' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.507 HG23 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.553 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.521 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.481 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.528 HD21 ' N ' ' A' ' 99' ' ' LEU . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.554 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.664 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 100' ' ' THR . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.427 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 2.9 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG21 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 6' ' ' ILE . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.516 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' CD2' ' HD2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.63 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.514 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' CG1' ' CE ' ' A' ' 60' ' ' MET . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.528 ' CD2' HD12 ' A' ' 53' ' ' LEU . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.515 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.514 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.436 HG23 ' CG ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.461 ' N ' ' OG1' ' A' ' 100' ' ' THR . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.507 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.454 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' ASP . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.46 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.739 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.739 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.472 ' CD2' ' HE1' ' A' ' 55' ' ' MET . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.557 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.491 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG13 ' CE ' ' A' ' 60' ' ' MET . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' CG2' ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.508 ' CG2' ' ND1' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.526 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.548 ' CG2' HD12 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 8' ' ' ILE . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 14.4 m120 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.546 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' CD2' ' HD2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.568 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.536 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' CE ' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.513 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' CA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.486 HG22 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.648 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD22 ' CG ' ' A' ' 67' ' ' LYS . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.648 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 100' ' ' THR . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.546 0.212 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -167.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.32 83.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 -179.28 140.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD2' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' NH2' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.535 HD13 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CB ' HD12 ' A' ' 119' ' ' LEU . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 7' ' ' LEU . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.584 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 70' ' ' LYS . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' ' HA ' ' A' ' 70' ' ' LYS . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.502 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.472 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.699 ' CD1' ' CE2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 100' ' ' THR . 2.9 m80 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 108' ' ' ILE . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 121' ' ' LEU . 54.7 t -69.27 -42.08 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -75.87 -14.66 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 -31.8 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.699 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 2.8 t80 -93.96 -45.89 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.505 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.2 mm? -107.4 158.53 32.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -74.97 57.87 4.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 115' ' ' VAL . 0.2 OUTLIER -80.41 169.8 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.7 72.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 112' ' ' ARG . 41.7 t -98.99 140.4 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.471 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -165.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.27 101.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 -179.23 141.19 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 39' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' HG11 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 31' ' ' PHE . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.489 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.669 ' CD1' ' CE1' ' A' ' 118' ' ' TYR . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.489 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.492 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.551 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 99' ' ' LEU . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.624 HG13 ' CE1' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.576 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.516 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.634 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.522 HD21 ' N ' ' A' ' 99' ' ' LEU . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 102' ' ' PHE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.634 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.485 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' TYR . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 2.6 t -71.76 -27.45 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.09 66.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -93.79 -39.92 10.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.669 ' CE1' ' CD1' ' A' ' 50' ' ' LEU . 1.7 t80 -62.66 -46.29 88.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -84.59 144.53 42.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 34.3 tp -91.74 165.73 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -41.48 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 141.15 57.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmm . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER 175.79 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 2' ' ' MET . 2.0 t-20 84.08 147.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 170.39 156.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.491 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 10' ' ' ASP . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' HD12 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' O ' ' CE ' ' A' ' 55' ' ' MET . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.492 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.403 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CG1' ' HE1' ' A' ' 89' ' ' MET . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.529 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 119' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.546 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.511 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 HG21 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 90' ' ' ILE . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.488 ' HE1' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.511 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' A' ' 90' ' ' ILE . 56.6 p-80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.48 ' HA ' ' HD2' ' A' ' 118' ' ' TYR . 25.0 t -59.04 -39.02 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -59.92 -15.94 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -30.34 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.75 ' C ' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -81.59 -48.92 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -131.46 146.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.545 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.07 56.28 4.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 38.1 tp -90.42 165.74 13.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 2.1 ttpt -49.55 121.49 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -67.98 129.9 41.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 mtt -141.98 -172.83 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 6.6 t-20 -169.42 158.77 8.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER 166.92 156.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.2 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 9' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD2' HD12 ' A' ' 76' ' ' ILE . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.497 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD2' ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 81' ' ' MET . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG12 ' CG ' ' A' ' 89' ' ' MET . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.509 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.524 ' NE ' ' O ' ' A' ' 49' ' ' ASP . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.492 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.574 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.486 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.437 ' CG ' HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.548 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.525 ' CG2' ' CD1' ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.548 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 79' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.542 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' LEU . 2.6 t -83.31 -35.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -16.87 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -91.56 -34.57 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -93.85 -45.81 7.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.572 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -105.98 149.34 37.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.02 56.14 4.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.13 170.06 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 118.8 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.3 m -63.96 105.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.464 0.173 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.84 171.11 14.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.621 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -93.79 -167.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.573 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 1.8 tt0 64.44 141.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.58 ' CD1' ' CE1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 10' ' ' ASP . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CZ ' HG13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 HG13 ' CZ ' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.58 ' CE1' ' CD1' ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.0 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.503 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' GLY . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' CG2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB2' ' CE1' ' A' ' 118' ' ' TYR . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 55' ' ' MET . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' C ' HD21 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.474 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' CE ' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.451 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 102' ' ' PHE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CE1' HG21 ' A' ' 100' ' ' THR . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 8.1 t -62.11 -40.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -61.43 -14.53 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -107.13 -27.5 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.742 ' C ' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -83.82 -48.93 9.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.623 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -134.25 146.38 59.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 42.6 tp -93.2 165.85 12.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 11.5 tmtt? -49.75 121.83 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -51.44 143.76 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 mtp 66.13 98.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p30 177.71 -164.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -173.82 153.03 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CD2' HG21 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.673 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.772 ' CE1' ' CG2' ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.772 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' HG11 ' A' ' 9' ' ' VAL . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.509 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LEU . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' CB ' HD23 ' A' ' 119' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.558 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.599 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.538 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.542 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.655 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.555 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 ' CZ ' ' A' ' 102' ' ' PHE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.655 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 8.8 p-80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CZ ' HG22 ' A' ' 100' ' ' THR . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.496 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 108' ' ' ILE . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 119' ' ' LEU . 2.0 t -74.66 -29.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 3.4 ttpt -79.93 -17.95 51.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -89.77 -38.25 13.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.599 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.56 -44.66 8.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 49' ' ' ASP . 2.9 mt -100.15 126.69 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.472 ' HD2' ' CD2' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 36.0 tp -90.26 166.06 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.469 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 12.7 tmtt? -46.81 134.17 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.8 p -62.26 141.52 58.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.494 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 155.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 172.36 143.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -177.77 149.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.574 HD12 ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ASN . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 108' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.753 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.753 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD23 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.569 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' CD2' ' HE1' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 81' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.596 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 53' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CG ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 51' ' ' VAL . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.507 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.641 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.602 HG23 ' CE1' ' A' ' 102' ' ' PHE . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.598 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 119' ' ' LEU . 29.7 t -78.47 -19.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -82.11 -31.91 30.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -83.58 -30.19 27.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 1.1 t80 -95.0 -45.33 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.569 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -109.66 152.71 43.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.51 169.6 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -45.46 126.4 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -66.65 107.81 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.058 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.47 0.176 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -174.17 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -144.9 140.17 28.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -161.94 149.79 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG12 ' CZ ' ' A' ' 112' ' ' ARG . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.508 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.508 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.484 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD2' ' CD1' ' A' ' 50' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.402 ' HE1' ' CG ' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.613 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 118' ' ' TYR . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.613 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 20.7 p-80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 121' ' ' LEU . 54.9 t -69.83 -35.73 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.46 -14.83 59.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -95.25 -31.92 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 1.7 t80 -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 115' ' ' VAL . 4.1 mm? -115.36 160.66 33.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 57.11 4.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.793 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 37.8 tp -75.32 166.06 24.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -43.88 130.76 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.4 p -80.89 117.68 21.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 2' ' ' MET . 14.3 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 178.68 157.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -122.8 170.47 10.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' CD2' ' A' ' 121' ' ' LEU . 20.9 tt0 67.14 144.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.753 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.753 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HD11 ' A' ' 50' ' ' LEU . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD13 ' CE1' ' A' ' 118' ' ' TYR . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.562 ' CE ' ' N ' ' A' ' 55' ' ' MET . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.506 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG1' ' HE3' ' A' ' 89' ' ' MET . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.483 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' CG ' HD13 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.555 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.471 ' HE3' ' CG1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.524 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.524 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.631 ' CB ' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.631 ' CE1' ' CB ' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.08 -30.54 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -50.53 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -27.01 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.623 ' CE1' HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -70.28 -42.61 71.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.61 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -150.61 141.67 14.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.48 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.5 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -69.33 170.21 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' LEU . 8.8 ttpt -40.11 140.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 110.46 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmt -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.601 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 6.2 m-20 -119.96 162.28 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 60.5 143.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.483 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD11 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 47' ' ' ARG . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' CB ' HD22 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD2' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CG1' ' HE2' ' A' ' 89' ' ' MET . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.532 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.454 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' LYS . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.502 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.464 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.454 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 90' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE2' HD12 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' O ' ' CG ' ' A' ' 117' ' ' LYS . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.692 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 7.1 t -55.48 -41.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -48.85 -24.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -111.12 -29.73 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.692 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -73.58 -22.41 60.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 0.1 OUTLIER 170.64 144.99 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.03 56.96 4.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 37.9 tp -90.44 166.35 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 7.0 tptt -41.31 119.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -93.89 144.04 25.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.518 0.199 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 mmt 54.25 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 6.8 p-10 169.9 137.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -176.17 153.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' CD2' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' NH2' ' CG1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.523 ' CG1' ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.698 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.702 ' CE1' ' CG2' ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.702 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.8 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.458 ' CB ' HG12 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.488 HG23 ' CD2' ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.712 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 55' ' ' MET . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' HD21 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG1' ' HE3' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.535 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.529 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.497 ' CD ' HD13 ' A' ' 50' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 77' ' ' ARG . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.605 HD13 ' CE2' ' A' ' 118' ' ' TYR . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.475 ' HE3' ' CG1' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.525 HG23 ' CD2' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.552 HD21 ' N ' ' A' ' 99' ' ' LEU . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.493 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.525 ' CD2' HG23 ' A' ' 90' ' ' ILE . 40.2 p-80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.479 ' CZ ' HD11 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.469 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.97 -34.05 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -44.35 91.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -41.52 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.712 ' CZ ' ' HG ' ' A' ' 50' ' ' LEU . 1.1 t80 -52.38 -47.63 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -91.32 152.72 44.1 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 119' ' ' LEU . 18.0 Cg_endo -75.08 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 35.9 tp -95.54 165.93 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 4.2 ttmt -42.91 113.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.9 p -54.88 122.91 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.42 ' HE3' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.97 -173.74 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -111.79 165.74 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 61.06 140.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.456 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.533 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 17' ' ' ILE . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.1 t30 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.752 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' CG ' ' HE3' ' A' ' 2' ' ' MET . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.752 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 HG21 ' CD1' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' ' 118' ' ' TYR . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 55' ' ' MET . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' HD21 ' A' ' 53' ' ' LEU . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.562 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.48 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.481 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' NE ' ' HG ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.521 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' MET . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.615 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.586 ' HG ' ' NE ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 102' ' ' PHE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.615 ' CD2' ' CG2' ' A' ' 90' ' ' ILE . 47.2 p-80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 100' ' ' THR . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 13.7 t -69.9 -22.09 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.56 -14.25 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -25.84 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.746 ' C ' ' CD1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -78.81 -48.39 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -135.83 145.38 52.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.98 55.55 3.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 46.3 tp -90.99 166.25 13.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -48.24 141.15 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 p -85.18 131.91 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.0 31.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 1.9 p-10 -163.19 129.78 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -51.21 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 ' CG1' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.755 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.755 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CB ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.519 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CG2' HD12 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.652 ' CD1' ' CE1' ' A' ' 118' ' ' TYR . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.609 ' CD2' ' CE ' ' A' ' 81' ' ' MET . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 60' ' ' MET . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.507 ' CG ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.504 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.637 HG13 ' CE2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.526 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.609 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.672 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.632 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.565 ' CG2' ' CD1' ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.632 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 119' ' ' LEU . 2.7 t -64.07 -30.24 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.05 -48.02 82.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -75.78 -37.93 58.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.652 ' CE1' ' CD1' ' A' ' 50' ' ' LEU . 1.1 t80 -62.93 -46.19 88.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.598 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -146.56 142.15 17.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 42.9 tp -87.41 166.09 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 11.0 ttpt -45.24 108.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.89 130.7 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' MET . 1.4 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.488 0.185 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' MET . 14.2 mtt 38.27 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.5 166.31 18.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -177.84 152.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 23' ' ' PHE . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 19' ' ' LEU . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CD1' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 9' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD13 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' O ' ' CD ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.478 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 9' ' ' VAL . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.482 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.579 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.471 ' CE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.453 ' CE ' HG12 ' A' ' 63' ' ' ILE . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 10.4 p-80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.67 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 4.6 t -53.53 -42.36 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -47.45 -24.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 115' ' ' VAL . 30.8 mtmm -109.21 -31.61 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.67 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -72.85 -22.68 60.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 0.1 OUTLIER 172.32 144.59 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.1 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 43.4 tp -95.08 166.07 12.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -39.73 109.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.3 m -92.54 121.66 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.936 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.512 0.196 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -168.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.45 151.71 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 176.02 152.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.543 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' CD2' ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 6' ' ' ILE . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' LEU . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.69 ' CD2' ' CE1' ' A' ' 118' ' ' TYR . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HD23 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.666 ' HB ' ' HA2' ' A' ' 62' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD23 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.524 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.494 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.556 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.571 ' CD1' ' CE2' ' A' ' 118' ' ' TYR . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.475 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.535 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.501 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.556 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.535 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.404 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 119' ' ' LEU . 6.2 t -67.33 -28.64 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -62.46 -32.63 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -99.5 -44.36 6.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.69 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 2.3 t80 -65.87 -35.04 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 50' ' ' LEU . 6.1 tt -110.14 134.02 20.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.05 56.36 4.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 37.4 tp -94.15 165.89 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.452 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.67 138.76 46.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.7 m -61.86 118.56 7.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.02 172.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 2.9 t30 172.84 159.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER 165.82 160.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' GLY . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' CB ' HD13 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 ' O ' ' CE ' ' A' ' 55' ' ' MET . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' C ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.566 ' CE ' ' N ' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.46 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.645 ' NE ' ' HG ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.501 ' N ' HD22 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.41 ' SD ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.528 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 HD22 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.645 ' HG ' ' NE ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 102' ' ' PHE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.528 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 1.6 p-80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 121' ' ' LEU . 56.1 t -71.03 -37.38 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.24 -14.9 59.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -93.21 -34.38 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.548 ' CE1' ' HD2' ' A' ' 77' ' ' ARG . 2.6 t80 -94.46 -46.12 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.5 mm? -110.51 157.99 36.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.01 57.04 4.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 41.9 tp -75.27 166.16 24.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 10.0 ttpt -45.36 113.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.5 m -66.77 112.2 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.525 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.31 -154.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -154.59 151.15 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -134.79 164.15 28.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.7 t30 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.757 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.757 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.54 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' OE2' ' CD2' ' A' ' 31' ' ' PHE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.646 ' HG ' ' CZ ' ' A' ' 118' ' ' TYR . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' SD ' ' A' ' 81' ' ' MET . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.501 HG12 ' CE ' ' A' ' 60' ' ' MET . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.516 ' CD ' HD11 ' A' ' 50' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.553 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.521 ' SD ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.554 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.664 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 100' ' ' THR . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.427 ' O ' ' CG2' ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 111' ' ' ILE . 2.9 t -69.19 -33.37 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -39.06 81.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -85.05 -35.14 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.646 ' CZ ' ' HG ' ' A' ' 50' ' ' LEU . 1.1 t80 -56.66 -47.97 78.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -89.32 153.27 48.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.52 4.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 35.3 tp -93.22 165.8 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.7 OUTLIER -42.83 122.22 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 p -65.52 129.06 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.485 0.183 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 tpp -155.12 175.13 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.644 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 31.1 m-20 -128.31 -177.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 60.46 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG21 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CE1' ' OH ' ' A' ' 118' ' ' TYR . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.516 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.63 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.514 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' N ' HG21 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' CG1' ' CE ' ' A' ' 60' ' ' MET . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.528 ' CD2' HD12 ' A' ' 53' ' ' LEU . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 76' ' ' ILE . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.515 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.555 ' NH2' ' CD2' ' A' ' 119' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.514 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.436 HG23 ' CG ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 67' ' ' LYS . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' N ' ' OG1' ' A' ' 100' ' ' THR . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.507 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.454 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.663 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 74.3 t -52.38 -42.54 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -49.01 -23.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 115' ' ' VAL . 0.3 OUTLIER -110.91 -31.67 7.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.677 ' CD2' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.86 -23.62 62.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.65 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 0.1 OUTLIER 171.69 146.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.95 4.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 36.4 tp -92.48 166.03 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -43.83 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 121' ' ' LEU . 30.8 t -85.52 145.73 27.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -157.53 147.69 20.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.74 -174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.5 -176.84 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' ASP . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.46 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.739 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.739 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.472 ' CD2' ' HE1' ' A' ' 55' ' ' MET . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.557 ' CE ' ' N ' ' A' ' 55' ' ' MET . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.491 ' CG2' ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG13 ' CE ' ' A' ' 60' ' ' MET . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.595 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' CG2' ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.508 ' CG2' ' ND1' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.548 ' CG2' HD12 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 119' ' ' LEU . 46.5 t -72.72 -33.91 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.7 OUTLIER -78.48 -19.1 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -91.01 -33.06 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.595 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -94.42 -44.84 7.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 115' ' ' VAL . 4.5 mm? -113.21 162.02 24.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 59.06 5.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 25.9 tp -88.24 165.68 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 4.3 tttm 37.63 83.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.3 p -62.88 103.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.452 0.168 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.5 166.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -126.76 168.41 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 174.7 151.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 8' ' ' ILE . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CB ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 14.4 m120 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.546 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.66 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.568 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.536 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' CE ' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.49 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.513 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.481 ' HE2' ' CA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.486 HG22 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.648 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD22 ' CG ' ' A' ' 67' ' ' LYS . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.648 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 100' ' ' THR . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 118' ' ' TYR . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.695 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 2.8 t -56.5 -38.87 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -51.43 -23.64 4.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -112.76 -23.29 10.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.695 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -80.55 -23.72 39.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 0.1 OUTLIER 173.72 144.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.62 4.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 122' ' ' LYS . 41.1 tp -92.87 166.09 12.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -40.75 108.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.06 145.9 24.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.869 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 19' ' ' LEU . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 1.015 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.015 HD11 ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD23 ' HB ' ' A' ' 108' ' ' ILE . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.869 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.866 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 43' ' ' VAL . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 50' ' ' LEU . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 HG22 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.933 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 66' ' ' LEU . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 58' ' ' PRO . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.834 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.992 HD11 HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.704 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 76' ' ' ILE . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.909 ' HD3' HD11 ' A' ' 99' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.933 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.471 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.534 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.778 HG23 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.909 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.504 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.778 ' CG ' HG23 ' A' ' 90' ' ' ILE . 6.5 m-70 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 HD22 ' A' ' 50' ' ' LEU . 54.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.584 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.829 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.817 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.811 HG23 HD22 ' A' ' 52' ' ' LEU . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 33' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.789 ' HB3' HG21 ' A' ' 8' ' ' ILE . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.51 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.829 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.785 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 7' ' ' LEU . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.817 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' A' ' 77' ' ' ARG . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.762 ' HB ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.63 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.703 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.485 ' HE2' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.703 ' N ' HD11 ' A' ' 57' ' ' ILE . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.949 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.873 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.672 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.762 HG23 ' HB ' ' A' ' 51' ' ' VAL . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.857 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.552 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 82' ' ' THR . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.712 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.672 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.62 HG22 ' CD1' ' A' ' 79' ' ' ILE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.757 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.885 HG23 HD21 ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 33' ' ' ALA . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.447 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.768 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.706 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 HD11 ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' VAL . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.846 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.062 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.885 HD21 HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 54' ' ' ASP . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.945 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.655 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 61' ' ' ASP . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.706 HG21 ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD11 HD13 ' A' ' 53' ' ' LEU . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.969 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 73' ' ' ASP . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.853 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.062 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.851 HG13 HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.763 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.572 HG21 ' ND1' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.675 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' ILE . 16.9 p80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 111' ' ' ILE . 25.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.032 HD22 HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.828 HG21 ' CB ' ' A' ' 16' ' ' ARG . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.037 ' CG1' HD23 ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.814 ' OD2' HG23 ' A' ' 57' ' ' ILE . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.828 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 18' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.7 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.925 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 69' ' ' MET . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.883 HG22 HD11 ' A' ' 7' ' ' LEU . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 HD22 ' A' ' 7' ' ' LEU . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.791 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.009 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.964 HG13 HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.621 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.037 HD23 ' CG1' ' A' ' 9' ' ' VAL . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.815 ' H ' HD22 ' A' ' 53' ' ' LEU . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.814 HG23 ' OD2' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.492 ' HE1' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.607 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.925 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.974 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG22 ' CG ' ' A' ' 73' ' ' ASP . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.789 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 1.009 ' HD2' HD22 ' A' ' 50' ' ' LEU . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 100' ' ' THR . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.681 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 1.015 HG22 HD11 ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.681 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 111' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.95 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.895 HG23 HD21 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 33' ' ' ALA . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.668 ' HB2' HD11 ' A' ' 57' ' ' ILE . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.553 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.803 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.52 HD11 ' NH1' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 HG12 ' A' ' 108' ' ' ILE . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.95 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.3 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.583 HG21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.999 HD12 ' HG2' ' A' ' 77' ' ' ARG . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 78' ' ' VAL . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.895 HD21 HG23 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.811 HD22 HD21 ' A' ' 66' ' ' LEU . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.612 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.654 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.977 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.931 ' SD ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' CG ' ' A' ' 73' ' ' ASP . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.68 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.999 ' HG2' HD12 ' A' ' 50' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 51' ' ' VAL . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.819 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.618 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.542 HG22 ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.448 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.533 HG22 HD11 ' A' ' 79' ' ' ILE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' HD11 ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 79' ' ' ILE . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.624 HG12 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.845 ' O ' HG23 ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 111' ' ' ILE . 8.1 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.008 HD21 HG22 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.94 ' CG ' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.691 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 18' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.934 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.866 HD21 ' CG ' ' A' ' 69' ' ' MET . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 1.008 HG22 HD21 ' A' ' 7' ' ' LEU . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 43' ' ' VAL . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.978 ' HB ' HG23 ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.107 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.702 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.934 HG21 ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.107 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.957 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.866 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 73' ' ' ASP . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' CD ' HD22 ' A' ' 50' ' ' LEU . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.978 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.618 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 55' ' ' MET . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.726 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.504 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.423 HG22 HD11 ' A' ' 79' ' ' ILE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.726 ' CB ' HG23 ' A' ' 90' ' ' ILE . 24.6 p80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 107' ' ' ASP . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.633 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 16' ' ' ARG . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.854 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 8' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 18' ' ' LEU . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CD2' HD13 ' A' ' 6' ' ' ILE . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.76 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.76 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.923 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 43' ' ' VAL . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.983 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG13 HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.919 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' HE2' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.63 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.923 HG21 ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.936 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.618 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.983 ' HD2' HD22 ' A' ' 50' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.693 ' C ' HD22 ' A' ' 99' ' ' LEU . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.543 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.493 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.675 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.703 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.827 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.506 ' HB2' HG21 ' A' ' 80' ' ' ILE . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.929 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.703 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.681 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.599 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.866 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.786 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 19' ' ' LEU . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.725 ' N ' HD13 ' A' ' 19' ' ' LEU . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' LEU . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.866 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.739 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.972 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD11 ' HG3' ' A' ' 69' ' ' MET . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.786 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 39' ' ' ALA . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.012 ' HB ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.752 HD23 ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.752 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.488 ' HE1' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 ' HA ' ' HE2' ' A' ' 89' ' ' MET . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.972 HG21 ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.926 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.816 ' SD ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.924 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.012 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.714 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.71 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.924 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.558 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' A' ' 80' ' ' ILE . 33.3 p80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.714 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 20.9 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.639 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 52' ' ' LEU . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 HG13 ' A' ' 108' ' ' ILE . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.768 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.768 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HG2' ' A' ' 77' ' ' ARG . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.88 ' HB ' HG22 ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 66' ' ' LEU . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.504 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 53' ' ' LEU . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.774 HG23 ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.774 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.83 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.83 HD12 ' CG ' ' A' ' 61' ' ' ASP . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.883 HG21 ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.551 ' HG2' HD12 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.88 HG22 ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.694 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.742 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.754 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.812 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.484 ' HB2' HG21 ' A' ' 80' ' ' ILE . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.548 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.754 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 1.05 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 1.05 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.5 HG13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' ILE . 15.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 52' ' ' LEU . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.672 ' OD2' HG23 ' A' ' 57' ' ' ILE . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 18' ' ' LEU . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.582 ' O ' HG11 ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.936 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 39' ' ' ALA . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.79 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD21 ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.741 HG22 ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.861 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' CG ' ' A' ' 61' ' ' ASP . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.936 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.959 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.666 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' ILE . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 73' ' ' ASP . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.764 ' HG3' HD21 ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG23 HG13 ' A' ' 51' ' ' VAL . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.621 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.843 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.755 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.59 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.711 HG22 ' CD2' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 80' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.764 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.546 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CD2' HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.621 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' ILE . 7.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.967 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 52' ' ' LEU . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.599 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.599 HD11 ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.718 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 18' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.756 HG21 ' CD1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.78 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' HG11 ' A' ' 9' ' ' VAL . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.788 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.805 HG22 HD11 ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 49' ' ' ASP . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.128 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.765 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.802 HG23 ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.802 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.511 ' HE1' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.788 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.128 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.916 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.825 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 51' ' ' VAL . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.595 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.822 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.667 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CB ' HG23 ' A' ' 90' ' ' ILE . 23.6 p80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.74 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 111' ' ' ILE . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 52' ' ' LEU . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' ALA . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD1' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 8' ' ' ILE . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 t-20 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.765 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.944 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.514 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 77' ' ' ARG . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.972 ' HB ' HG23 ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD22 HD21 ' A' ' 66' ' ' LEU . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' C ' ' HE2' ' A' ' 55' ' ' MET . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.944 HG21 ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.986 HD21 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.865 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.972 HG23 ' HB ' ' A' ' 51' ' ' VAL . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.802 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 HG12 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.613 HG21 ' ND1' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 90' ' ' ILE . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 HD11 ' A' ' 79' ' ' ILE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.613 ' ND1' HG21 ' A' ' 90' ' ' ILE . 16.6 p80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 111' ' ' ILE . 13.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.641 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.65 HD11 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.855 HG23 HD22 ' A' ' 52' ' ' LEU . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD23 HD11 ' A' ' 108' ' ' ILE . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.478 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.769 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD21 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.574 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.949 ' HB ' HG23 ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.855 HD22 HG23 ' A' ' 8' ' ' ILE . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.828 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.564 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.651 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' CA ' ' A' ' 62' ' ' GLY . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.562 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 61' ' ' ASP . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.566 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.685 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.949 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.988 HD11 HG22 ' A' ' 100' ' ' THR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.618 ' CE ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB2' ' HE2' ' A' ' 104' ' ' LYS . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.672 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.764 ' O ' HD13 ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.866 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.988 HG22 HD11 ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.727 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.782 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.835 ' CG1' HD23 ' A' ' 53' ' ' LEU . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.782 ' CE2' HG21 ' A' ' 6' ' ' ILE . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG12 ' A' ' 43' ' ' VAL . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.964 ' HB ' HG23 ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.968 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.589 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.951 HG21 ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.968 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.907 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.503 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.704 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.899 HG13 HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.881 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 90' ' ' ILE . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.482 ' HE2' ' SD ' ' A' ' 55' ' ' MET . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.53 HG22 ' CD1' ' A' ' 79' ' ' ILE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 21.1 p80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 111' ' ' ILE . 4.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.926 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.855 HG21 ' CB ' ' A' ' 16' ' ' ARG . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 33' ' ' ALA . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.855 ' CB ' HG21 ' A' ' 8' ' ' ILE . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.679 HD11 ' NH1' ' A' ' 16' ' ' ARG . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 18' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.612 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.696 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.839 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 43' ' ' VAL . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 77' ' ' ARG . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.907 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.865 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.665 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.815 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.907 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.498 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 90' ' ' ILE . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.73 HG23 ' CB ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.861 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.73 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.405 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 18' ' ' LEU . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 111' ' ' ILE . 6.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.937 HG12 HD21 ' A' ' 52' ' ' LEU . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.834 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' LEU . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.552 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' HG12 ' A' ' 43' ' ' VAL . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.954 HD22 ' HD3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.079 HG13 HG23 ' A' ' 78' ' ' VAL . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 81' ' ' MET . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 66' ' ' LEU . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.621 ' N ' ' HE2' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.552 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.918 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.567 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.954 ' HD3' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' A' ' 100' ' ' THR . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.831 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 1.074 ' HE1' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.411 ' HE1' ' SD ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 86' ' ' GLU . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 79' ' ' ILE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.689 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.4 p80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.697 ' CE2' HD13 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.565 HG11 ' HZ ' ' A' ' 23' ' ' PHE . 56.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.633 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.795 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.704 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.634 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.698 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.3 t-20 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.817 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.765 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.795 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 43' ' ' VAL . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' OE1' HG23 ' A' ' 42' ' ' ILE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 77' ' ' ARG . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.983 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 10' ' ' ASP . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' HE2' ' A' ' 89' ' ' MET . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.802 HG21 HD11 ' A' ' 53' ' ' LEU . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.937 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.941 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 99' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.634 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.537 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.511 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.738 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 111' ' ' ILE . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.9 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG21 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.764 HG21 ' CB ' ' A' ' 16' ' ' ARG . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 35' ' ' ASN . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 6' ' ' ILE . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.947 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.778 HD21 ' HG3' ' A' ' 69' ' ' MET . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.696 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.015 ' HB ' HG22 ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.7 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.939 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.683 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.705 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.947 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.963 ' O ' HG23 ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 40' ' ' LEU . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.616 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HD2' HD23 ' A' ' 50' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.015 HG22 ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.852 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.655 ' HB2' HG21 ' A' ' 80' ' ' ILE . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 77' ' ' ARG . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.528 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 80' ' ' ILE . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.922 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.506 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.922 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.455 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 111' ' ' ILE . 74.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.811 HD11 HD11 ' A' ' 19' ' ' LEU . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 33' ' ' ALA . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 8' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 8' ' ' ILE . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' LEU . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' LEU . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.745 ' HZ ' HG11 ' A' ' 115' ' ' VAL . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.751 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.751 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.675 ' O ' HG13 ' A' ' 9' ' ' VAL . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.746 ' HA3' HD13 ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 66' ' ' LEU . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.644 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.876 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.876 HD12 ' CG ' ' A' ' 61' ' ' ASP . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA3' ' A' ' 36' ' ' GLY . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.555 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.896 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.87 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.515 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.767 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CD2' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.612 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.896 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.69 HG22 HD11 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.814 ' CD2' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 111' ' ' ILE . 46.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.77 HG12 HD21 ' A' ' 52' ' ' LEU . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CB ' HG21 ' A' ' 8' ' ' ILE . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' HE2' ' A' ' 23' ' ' PHE . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 18' ' ' LEU . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.791 ' CE2' HD13 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 57' ' ' ILE . 47.2 m-80 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.576 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.056 HG13 HG23 ' A' ' 78' ' ' VAL . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HD21 ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.569 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.569 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.793 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.793 ' HD2' HD13 ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.533 ' HE3' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.902 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 61' ' ' ASP . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.028 HD21 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.965 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.773 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 73' ' ' ASP . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.816 ' HG3' HD21 ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.056 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.679 ' CE ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 87' ' ' LEU . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.74 ' HB2' HG21 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.816 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.709 HG21 ' HB1' ' A' ' 114' ' ' ALA . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.817 ' CG ' HG23 ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 79' ' ' ILE . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.709 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.546 0.212 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -167.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.32 83.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 -179.28 140.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.869 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 19' ' ' LEU . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 1.015 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.015 HD11 ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD23 ' HB ' ' A' ' 108' ' ' ILE . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.869 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.866 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 43' ' ' VAL . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 50' ' ' LEU . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 HG22 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.933 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 66' ' ' LEU . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 58' ' ' PRO . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.834 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.992 HD11 HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.704 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 76' ' ' ILE . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.909 ' HD3' HD11 ' A' ' 99' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.933 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.471 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.534 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.778 HG23 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.909 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.504 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.778 ' CG ' HG23 ' A' ' 90' ' ' ILE . 6.5 m-70 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.59 HG12 ' HG ' ' A' ' 121' ' ' LEU . 54.7 t -69.27 -42.08 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -75.87 -14.66 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 -31.8 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.699 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 2.8 t80 -93.96 -45.89 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.505 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.2 mm? -107.4 158.53 32.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -74.97 57.87 4.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.59 ' HG ' HG12 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -80.41 169.8 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.7 72.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 112' ' ' ARG . 41.7 t -98.99 140.4 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.471 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -165.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.27 101.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 -179.23 141.19 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.584 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.829 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.817 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.811 HG23 HD22 ' A' ' 52' ' ' LEU . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 33' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.789 ' HB3' HG21 ' A' ' 8' ' ' ILE . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.829 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.785 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 7' ' ' LEU . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.817 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.028 HD11 ' CE1' ' A' ' 118' ' ' TYR . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.762 ' HB ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.63 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.703 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HE2' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.703 ' N ' HD11 ' A' ' 57' ' ' ILE . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.949 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.873 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.672 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.762 HG23 ' HB ' ' A' ' 51' ' ' VAL . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.857 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.552 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 82' ' ' THR . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.712 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.672 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.62 HG22 ' CD1' ' A' ' 79' ' ' ILE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.757 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' TYR . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.6 t -71.76 -27.45 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.09 66.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -93.79 -39.92 10.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.028 ' CE1' HD11 ' A' ' 50' ' ' LEU . 1.7 t80 -62.66 -46.29 88.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -84.59 144.53 42.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 122' ' ' LYS . 34.3 tp -91.74 165.73 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.583 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -41.48 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 141.15 57.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmm . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER 175.79 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 2' ' ' MET . 2.0 t-20 84.08 147.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 170.39 156.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.772 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.885 HG23 HD21 ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 33' ' ' ALA . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.768 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.706 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 HD11 ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' VAL . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.846 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.576 ' OD2' HD11 ' A' ' 119' ' ' LEU . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.13 HD13 ' CD1' ' A' ' 118' ' ' TYR . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.062 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.885 HD21 HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 54' ' ' ASP . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.945 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.655 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 61' ' ' ASP . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.706 HG21 ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD11 HD13 ' A' ' 53' ' ' LEU . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.969 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 73' ' ' ASP . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.853 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.062 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.851 HG13 HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.763 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.572 HG21 ' ND1' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.675 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.732 ' HB2' HD11 ' A' ' 80' ' ' ILE . 16.9 p80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 111' ' ' ILE . 25.0 t -59.04 -39.02 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -59.92 -15.94 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -30.34 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.13 ' CD1' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -81.59 -48.92 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -131.46 146.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.978 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.07 56.28 4.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.518 HD12 ' H ' ' A' ' 122' ' ' LYS . 38.1 tp -90.42 165.74 13.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' H ' HD12 ' A' ' 121' ' ' LEU . 2.1 ttpt -49.55 121.49 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -67.98 129.9 41.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 mtt -141.98 -172.83 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 6.6 t-20 -169.42 158.77 8.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER 166.92 156.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.032 HD22 HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.828 HG21 ' CB ' ' A' ' 16' ' ' ARG . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.037 ' CG1' HD23 ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.814 ' OD2' HG23 ' A' ' 57' ' ' ILE . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.828 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 18' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.7 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.925 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 69' ' ' MET . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.883 HG22 HD11 ' A' ' 7' ' ' LEU . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 HD22 ' A' ' 7' ' ' LEU . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.791 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.009 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.964 HG13 HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.621 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.037 HD23 ' CG1' ' A' ' 9' ' ' VAL . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.815 ' H ' HD22 ' A' ' 53' ' ' LEU . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.814 HG23 ' OD2' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HE1' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.607 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.925 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.974 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG22 ' CG ' ' A' ' 73' ' ' ASP . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.789 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 1.009 ' HD2' HD22 ' A' ' 50' ' ' LEU . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 100' ' ' THR . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.681 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 1.015 HG22 HD11 ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.681 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 111' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.555 ' CG1' HD13 ' A' ' 121' ' ' LEU . 2.6 t -83.31 -35.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -16.87 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -91.56 -34.57 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.629 ' OH ' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -93.85 -45.81 7.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -105.98 149.34 37.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.02 56.14 4.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.555 HD13 ' CG1' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -89.13 170.06 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 118.8 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.3 m -63.96 105.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.464 0.173 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.84 171.11 14.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.621 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -93.79 -167.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 119' ' ' LEU . 1.8 tt0 64.44 141.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.95 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.895 HG23 HD21 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 33' ' ' ALA . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.668 ' HB2' HD11 ' A' ' 57' ' ' ILE . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.553 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.803 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.52 HD11 ' NH1' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 HG12 ' A' ' 108' ' ' ILE . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.95 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.3 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.583 HG21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 118' ' ' TYR . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 78' ' ' VAL . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.895 HD21 HG23 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.811 HD22 HD21 ' A' ' 66' ' ' LEU . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.612 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.654 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.977 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.931 ' SD ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' CG ' ' A' ' 73' ' ' ASP . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.68 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.999 ' HG2' HD12 ' A' ' 50' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 51' ' ' VAL . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.819 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.618 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.542 HG22 ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.448 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.533 HG22 HD11 ' A' ' 79' ' ' ILE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' HD11 ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 79' ' ' ILE . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.624 HG12 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.845 ' O ' HG23 ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 111' ' ' ILE . 8.1 t -62.11 -40.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -61.43 -14.53 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -107.13 -27.5 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.04 ' CD1' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -83.82 -48.93 9.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -134.25 146.38 59.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 122' ' ' LYS . 42.6 tp -93.2 165.85 12.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.565 ' H ' HD12 ' A' ' 121' ' ' LEU . 11.5 tmtt? -49.75 121.83 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -51.44 143.76 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 mtp 66.13 98.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p30 177.71 -164.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -173.82 153.03 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.008 HD21 HG22 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.94 ' CG ' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.691 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 18' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.934 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.866 HD21 ' CG ' ' A' ' 69' ' ' MET . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.008 HG22 HD21 ' A' ' 7' ' ' LEU . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 43' ' ' VAL . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.641 ' CB ' HD21 ' A' ' 119' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.978 ' HB ' HG23 ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.107 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.702 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.934 HG21 ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.107 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.957 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.866 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 73' ' ' ASP . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.978 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.618 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 55' ' ' MET . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.726 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.504 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.952 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.423 HG22 HD11 ' A' ' 79' ' ' ILE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.726 ' CB ' HG23 ' A' ' 90' ' ' ILE . 24.6 p80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 107' ' ' ASP . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 119' ' ' LEU . 2.0 t -74.66 -29.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 3.4 ttpt -79.93 -17.95 51.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -89.77 -38.25 13.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.952 ' CE2' HD12 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -93.56 -44.66 8.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.759 ' CD1' HD11 ' A' ' 6' ' ' ILE . 2.9 mt -100.15 126.69 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 122' ' ' LYS . 36.0 tp -90.26 166.06 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' H ' HD12 ' A' ' 121' ' ' LEU . 12.7 tmtt? -46.81 134.17 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.8 p -62.26 141.52 58.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.494 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 155.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 172.36 143.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -177.77 149.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 16' ' ' ARG . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.854 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 8' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 18' ' ' LEU . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CD2' HD13 ' A' ' 6' ' ' ILE . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.76 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.76 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.923 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 43' ' ' VAL . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.901 ' CB ' HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.983 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG13 HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.919 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' HE2' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.63 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.923 HG21 ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.936 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.618 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.983 ' HD2' HD22 ' A' ' 50' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.693 ' C ' HD22 ' A' ' 99' ' ' LEU . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.543 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.493 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.675 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.703 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.827 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.506 ' HB2' HG21 ' A' ' 80' ' ' ILE . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.929 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.703 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.681 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.599 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 119' ' ' LEU . 29.7 t -78.47 -19.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -82.11 -31.91 30.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -83.58 -30.19 27.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 1.1 t80 -95.0 -45.33 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -109.66 152.71 43.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.978 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.426 ' HG ' HG12 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -77.51 169.6 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -45.46 126.4 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -66.65 107.81 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.058 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.47 0.176 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -174.17 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -144.9 140.17 28.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -161.94 149.79 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.866 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.786 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 19' ' ' LEU . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.725 ' N ' HD13 ' A' ' 19' ' ' LEU . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' LEU . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.866 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.739 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.972 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD11 ' HG3' ' A' ' 69' ' ' MET . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.786 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 39' ' ' ALA . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.012 ' HB ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.752 HD23 ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.752 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.488 ' HE1' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 ' HA ' ' HE2' ' A' ' 89' ' ' MET . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.972 HG21 ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.926 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.816 ' SD ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.924 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.012 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.714 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.71 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.924 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.558 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' A' ' 80' ' ' ILE . 33.3 p80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.714 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.7 HG12 ' HB2' ' A' ' 121' ' ' LEU . 54.9 t -69.83 -35.73 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.46 -14.83 59.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -95.25 -31.92 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 1.7 t80 -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 118' ' ' TYR . 4.1 mm? -115.36 160.66 33.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 119' ' ' LEU . 18.0 Cg_endo -75.07 57.11 4.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.793 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.7 ' HB2' HG12 ' A' ' 115' ' ' VAL . 37.8 tp -75.32 166.06 24.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.533 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -43.88 130.76 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.4 p -80.89 117.68 21.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 2' ' ' MET . 14.3 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 178.68 157.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -122.8 170.47 10.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.871 ' OE2' HD21 ' A' ' 121' ' ' LEU . 20.9 tt0 67.14 144.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.639 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 52' ' ' LEU . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 HG13 ' A' ' 108' ' ' ILE . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.768 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.768 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.122 HD11 ' CD1' ' A' ' 118' ' ' TYR . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.88 ' HB ' HG22 ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 66' ' ' LEU . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.504 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 53' ' ' LEU . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.774 HG23 ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.774 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.83 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.83 HD12 ' CG ' ' A' ' 61' ' ' ASP . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.883 HG21 ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.551 ' HG2' HD12 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.88 HG22 ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.694 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.742 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.754 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.812 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' HB2' HG21 ' A' ' 80' ' ' ILE . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.548 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.754 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 1.05 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 1.05 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.5 HG13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' ILE . 15.3 t -64.08 -30.54 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -50.53 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -27.01 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.122 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -70.28 -42.61 71.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.944 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -150.61 141.67 14.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.944 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.48 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.871 HD21 ' OE2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -69.33 170.21 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' LEU . 8.8 ttpt -40.11 140.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 110.46 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmt -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.601 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 6.2 m-20 -119.96 162.28 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 60.5 143.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.744 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 52' ' ' LEU . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.672 ' OD2' HG23 ' A' ' 57' ' ' ILE . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 18' ' ' LEU . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.582 ' O ' HG11 ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.936 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 39' ' ' ALA . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CB ' HD21 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.79 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD21 ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.741 HG22 ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.861 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' CG ' ' A' ' 61' ' ' ASP . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.936 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.959 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.666 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' ILE . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 73' ' ' ASP . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.764 ' HG3' HD21 ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG23 HG13 ' A' ' 51' ' ' VAL . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.621 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.843 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.755 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.59 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.711 HG22 ' CD2' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 80' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.764 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.546 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CD2' HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.621 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.73 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 7.1 t -55.48 -41.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -48.85 -24.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -111.12 -29.73 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.744 ' OH ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.58 -22.41 60.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 170.64 144.99 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.03 56.96 4.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 122' ' ' LYS . 37.9 tp -90.44 166.35 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.548 ' H ' HD12 ' A' ' 121' ' ' LEU . 7.0 tptt -41.31 119.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -93.89 144.04 25.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.518 0.199 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 mmt 54.25 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 6.8 p-10 169.9 137.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -176.17 153.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.967 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 52' ' ' LEU . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.599 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.599 HD11 ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.718 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 18' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.756 HG21 ' CD1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.78 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' HG11 ' A' ' 9' ' ' VAL . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.788 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.805 HG22 HD11 ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.117 HD22 HD12 ' A' ' 119' ' ' LEU . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.128 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.765 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.591 ' N ' ' CE ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.802 HG23 ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.802 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.511 ' HE1' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.788 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.128 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.916 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.825 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.529 ' CD ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 51' ' ' VAL . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 118' ' ' TYR . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.595 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.822 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.667 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CB ' HG23 ' A' ' 90' ' ' ILE . 23.6 p80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.74 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 111' ' ' ILE . 3.0 t -62.97 -34.05 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -44.35 91.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -41.52 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.891 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 t80 -52.38 -47.63 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.117 HD12 HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.32 152.72 44.1 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.0 Cg_endo -75.08 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 122' ' ' LYS . 35.9 tp -95.54 165.93 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.535 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 ttmt -42.91 113.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.9 p -54.88 122.91 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.423 ' HE3' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.97 -173.74 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -111.79 165.74 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 61.06 140.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.916 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 52' ' ' LEU . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' ALA . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD1' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 8' ' ' ILE . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 t-20 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' CG ' ' HE3' ' A' ' 2' ' ' MET . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.765 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.944 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.514 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.129 HD22 ' CE2' ' A' ' 118' ' ' TYR . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.972 ' HB ' HG23 ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD22 HD21 ' A' ' 66' ' ' LEU . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' C ' ' HE2' ' A' ' 55' ' ' MET . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.944 HG21 ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.986 HD21 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.865 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.972 HG23 ' HB ' ' A' ' 51' ' ' VAL . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.802 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 HG12 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.613 HG21 ' ND1' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 90' ' ' ILE . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 HD11 ' A' ' 79' ' ' ILE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.613 ' ND1' HG21 ' A' ' 90' ' ' ILE . 16.6 p80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 111' ' ' ILE . 13.7 t -69.9 -22.09 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.56 -14.25 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -25.84 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.129 ' CE2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.81 -48.39 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.939 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -135.83 145.38 52.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.98 55.55 3.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.545 HD12 ' H ' ' A' ' 122' ' ' LYS . 46.3 tp -90.99 166.25 13.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -48.24 141.15 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 p -85.18 131.91 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.0 31.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -163.19 129.78 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -51.21 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.65 HD11 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.855 HG23 HD22 ' A' ' 52' ' ' LEU . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD23 HD11 ' A' ' 108' ' ' ILE . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.478 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 121' ' ' LEU . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.769 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD21 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.574 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' HB3' HD11 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.025 HD11 ' CD1' ' A' ' 118' ' ' TYR . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.949 ' HB ' HG23 ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.855 HD22 HG23 ' A' ' 8' ' ' ILE . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.828 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.564 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.651 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' CA ' ' A' ' 62' ' ' GLY . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.562 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 61' ' ' ASP . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.566 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.685 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.949 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.988 HD11 HG22 ' A' ' 100' ' ' THR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.618 ' CE ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB2' ' HE2' ' A' ' 104' ' ' LYS . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.672 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.764 ' O ' HD13 ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.866 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.988 HG22 HD11 ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.727 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.7 t -64.07 -30.24 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.05 -48.02 82.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -75.78 -37.93 58.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 1.025 ' CD1' HD11 ' A' ' 50' ' ' LEU . 1.1 t80 -62.93 -46.19 88.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -146.56 142.15 17.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 23' ' ' PHE . 42.9 tp -87.41 166.09 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.533 ' H ' HD12 ' A' ' 121' ' ' LEU . 11.0 ttpt -45.24 108.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.89 130.7 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' MET . 1.4 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.488 0.185 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' MET . 14.2 mtt 38.27 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.5 166.31 18.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -177.84 152.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.782 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.835 ' CG1' HD23 ' A' ' 53' ' ' LEU . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.782 ' CE2' HG21 ' A' ' 6' ' ' ILE . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG12 ' A' ' 43' ' ' VAL . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.554 ' CG ' HD21 ' A' ' 119' ' ' LEU . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.964 ' HB ' HG23 ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.968 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.589 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.951 HG21 ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.968 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.907 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.503 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.704 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.899 HG13 HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.881 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 90' ' ' ILE . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.482 ' HE2' ' SD ' ' A' ' 55' ' ' MET . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.53 HG22 ' CD1' ' A' ' 79' ' ' ILE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 21.1 p80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.712 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 4.6 t -53.53 -42.36 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -47.45 -24.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 115' ' ' VAL . 30.8 mtmm -109.21 -31.61 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.712 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -72.85 -22.68 60.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 172.32 144.59 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.1 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 122' ' ' LYS . 43.4 tp -95.08 166.07 12.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -39.73 109.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.3 m -92.54 121.66 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.936 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.512 0.196 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -168.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.45 151.71 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 176.02 152.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.926 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.855 HG21 ' CB ' ' A' ' 16' ' ' ARG . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 33' ' ' ALA . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.855 ' CB ' HG21 ' A' ' 8' ' ' ILE . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.679 HD11 ' NH1' ' A' ' 16' ' ' ARG . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 18' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.612 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.696 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.839 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 43' ' ' VAL . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' CE1' ' A' ' 118' ' ' TYR . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.907 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.865 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.665 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.815 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.907 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.922 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.498 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 90' ' ' ILE . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.73 HG23 ' CB ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.861 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.73 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.405 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 18' ' ' LEU . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 111' ' ' ILE . 6.2 t -67.33 -28.64 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -62.46 -32.63 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -99.5 -44.36 6.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.922 ' CE2' HD12 ' A' ' 79' ' ' ILE . 2.3 t80 -65.87 -35.04 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 50' ' ' LEU . 6.1 tt -110.14 134.02 20.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.05 56.36 4.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.643 ' HB2' HD22 ' A' ' 119' ' ' LEU . 37.4 tp -94.15 165.89 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.569 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.67 138.76 46.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.7 m -61.86 118.56 7.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.02 172.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 2.9 t30 172.84 159.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER 165.82 160.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.937 HG12 HD21 ' A' ' 52' ' ' LEU . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.834 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' LEU . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' CZ ' HD13 ' A' ' 121' ' ' LEU . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.552 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' HG12 ' A' ' 43' ' ' VAL . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.954 HD22 ' HD3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.079 HG13 HG23 ' A' ' 78' ' ' VAL . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 81' ' ' MET . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 66' ' ' LEU . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.621 ' N ' ' HE2' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.552 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.918 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.567 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.954 ' HD3' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' A' ' 100' ' ' THR . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.831 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 1.074 ' HE1' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.411 ' HE1' ' SD ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 86' ' ' GLU . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.705 HD12 ' HE2' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 79' ' ' ILE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.689 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.4 p80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.697 ' CE2' HD13 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.645 HG12 ' HB2' ' A' ' 121' ' ' LEU . 56.1 t -71.03 -37.38 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.24 -14.9 59.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -93.21 -34.38 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.705 ' HE2' HD12 ' A' ' 99' ' ' LEU . 2.6 t80 -94.46 -46.12 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.5 mm? -110.51 157.99 36.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.01 57.04 4.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.693 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 41.9 tp -75.27 166.16 24.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' H ' HD12 ' A' ' 121' ' ' LEU . 10.0 ttpt -45.36 113.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.5 m -66.77 112.2 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.525 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.31 -154.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -154.59 151.15 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -134.79 164.15 28.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.633 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.795 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.704 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.634 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.698 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.3 t-20 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.817 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.765 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.795 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 43' ' ' VAL . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' OE1' HG23 ' A' ' 42' ' ' ILE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HD12 ' A' ' 119' ' ' LEU . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.983 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 10' ' ' ASP . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' HE2' ' A' ' 89' ' ' MET . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.802 HG21 HD11 ' A' ' 53' ' ' LEU . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.937 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.941 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 99' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.719 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.634 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.537 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.738 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 111' ' ' ILE . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.9 t -69.19 -33.37 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -39.06 81.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -85.05 -35.14 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.911 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 t80 -56.66 -47.97 78.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.021 HD12 HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -89.32 153.27 48.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.851 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.52 4.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 122' ' ' LYS . 35.3 tp -93.22 165.8 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -42.83 122.22 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 p -65.52 129.06 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.485 0.183 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 tpp -155.12 175.13 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.644 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 31.1 m-20 -128.31 -177.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 60.46 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.764 HG21 ' CB ' ' A' ' 16' ' ' ARG . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 35' ' ' ASN . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CE1' ' OH ' ' A' ' 118' ' ' TYR . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.947 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.778 HD21 ' HG3' ' A' ' 69' ' ' MET . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.696 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.015 ' HB ' HG22 ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.939 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.683 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.705 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.947 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.963 ' O ' HG23 ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 40' ' ' LEU . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.616 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.555 ' NH2' ' CD2' ' A' ' 119' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.015 HG22 ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.852 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.655 ' HB2' HG21 ' A' ' 80' ' ' ILE . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 77' ' ' ARG . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.528 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 80' ' ' ILE . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.922 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.506 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.922 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.455 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.959 HG13 ' CE1' ' A' ' 118' ' ' TYR . 74.3 t -52.38 -42.54 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -49.01 -23.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 115' ' ' VAL . 0.3 OUTLIER -110.91 -31.67 7.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.959 ' CE1' HG13 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -70.86 -23.62 62.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.985 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 171.69 146.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.95 4.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 122' ' ' LYS . 36.4 tp -92.48 166.03 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -43.83 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 121' ' ' LEU . 30.8 t -85.52 145.73 27.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -157.53 147.69 20.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.74 -174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.5 -176.84 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.811 HD11 HD11 ' A' ' 19' ' ' LEU . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 33' ' ' ALA . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 8' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 8' ' ' ILE . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' LEU . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' LEU . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 121' ' ' LEU . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.751 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.751 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' O ' HG13 ' A' ' 9' ' ' VAL . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.746 ' HA3' HD13 ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD23 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 66' ' ' LEU . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.644 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.876 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.876 HD12 ' CG ' ' A' ' 61' ' ' ASP . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA3' ' A' ' 36' ' ' GLY . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.555 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.896 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.87 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.515 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.767 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CD2' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.612 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.896 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.69 HG22 HD11 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.814 ' CD2' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 111' ' ' ILE . 46.5 t -72.72 -33.91 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.7 OUTLIER -78.48 -19.1 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -91.01 -33.06 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.594 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -94.42 -44.84 7.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.75 HD23 HD23 ' A' ' 50' ' ' LEU . 4.5 mm? -113.21 162.02 24.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 59.06 5.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.911 HD13 ' CE1' ' A' ' 23' ' ' PHE . 25.9 tp -88.24 165.68 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.3 tttm 37.63 83.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.3 p -62.88 103.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.452 0.168 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.5 166.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -126.76 168.41 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 174.7 151.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.77 HG12 HD21 ' A' ' 52' ' ' LEU . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CB ' HG21 ' A' ' 8' ' ' ILE . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' HE2' ' A' ' 23' ' ' PHE . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 18' ' ' LEU . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.791 ' CE2' HD13 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 57' ' ' ILE . 47.2 m-80 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' CB ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.056 HG13 HG23 ' A' ' 78' ' ' VAL . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HD21 ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.569 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.569 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.793 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.793 ' HD2' HD13 ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.533 ' HE3' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.902 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 61' ' ' ASP . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.028 HD21 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.965 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.773 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 73' ' ' ASP . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.816 ' HG3' HD21 ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.056 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.679 ' CE ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 87' ' ' LEU . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.74 ' HB2' HG21 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.816 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.709 HG21 ' HB1' ' A' ' 114' ' ' ALA . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.817 ' CG ' HG23 ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 79' ' ' ILE . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.709 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.732 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 2.8 t -56.5 -38.87 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -51.43 -23.64 4.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -112.76 -23.29 10.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.732 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -80.55 -23.72 39.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 173.72 144.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.62 4.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 122' ' ' LYS . 41.1 tp -92.87 166.09 12.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.567 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -40.75 108.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.06 145.9 24.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.869 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 19' ' ' LEU . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 1.015 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.015 HD11 ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD23 ' HB ' ' A' ' 108' ' ' ILE . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.869 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.866 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 43' ' ' VAL . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 50' ' ' LEU . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 HG22 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.933 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 66' ' ' LEU . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 58' ' ' PRO . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.834 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.992 HD11 HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.704 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 76' ' ' ILE . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.909 ' HD3' HD11 ' A' ' 99' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.933 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.471 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.534 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.778 HG23 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.909 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.778 ' CG ' HG23 ' A' ' 90' ' ' ILE . 2.9 m80 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 HD22 ' A' ' 50' ' ' LEU . 54.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.584 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.829 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.817 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.811 HG23 HD22 ' A' ' 52' ' ' LEU . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 33' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.789 ' HB3' HG21 ' A' ' 8' ' ' ILE . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.51 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.829 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.785 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 7' ' ' LEU . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.817 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' A' ' 77' ' ' ARG . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.762 ' HB ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.63 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.703 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.485 ' HE2' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.703 ' N ' HD11 ' A' ' 57' ' ' ILE . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.949 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.873 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.672 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.762 HG23 ' HB ' ' A' ' 51' ' ' VAL . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.857 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.552 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 82' ' ' THR . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.712 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.672 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.62 HG22 ' CD1' ' A' ' 79' ' ' ILE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.757 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.885 HG23 HD21 ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 33' ' ' ALA . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.447 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.768 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.706 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 HD11 ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' VAL . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.846 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.062 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.885 HD21 HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 54' ' ' ASP . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.945 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.655 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 61' ' ' ASP . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.706 HG21 ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD11 HD13 ' A' ' 53' ' ' LEU . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.969 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 73' ' ' ASP . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.853 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.062 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.851 HG13 HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.763 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.772 HG21 ' CD2' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.675 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.772 ' CD2' HG21 ' A' ' 90' ' ' ILE . 56.6 p-80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 111' ' ' ILE . 25.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.032 HD22 HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.828 HG21 ' CB ' ' A' ' 16' ' ' ARG . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.037 ' CG1' HD23 ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.814 ' OD2' HG23 ' A' ' 57' ' ' ILE . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.828 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 18' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.2 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.925 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 69' ' ' MET . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.883 HG22 HD11 ' A' ' 7' ' ' LEU . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 HD22 ' A' ' 7' ' ' LEU . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.791 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.009 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.964 HG13 HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.621 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.037 HD23 ' CG1' ' A' ' 9' ' ' VAL . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.815 ' H ' HD22 ' A' ' 53' ' ' LEU . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.814 HG23 ' OD2' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.492 ' HE1' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.607 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.925 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.974 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG22 ' CG ' ' A' ' 73' ' ' ASP . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.789 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 1.009 ' HD2' HD22 ' A' ' 50' ' ' LEU . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 100' ' ' THR . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.681 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 1.015 HG22 HD11 ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.681 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 111' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.95 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.895 HG23 HD21 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 33' ' ' ALA . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.668 ' HB2' HD11 ' A' ' 57' ' ' ILE . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.553 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.803 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.52 HD11 ' NH1' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 HG12 ' A' ' 108' ' ' ILE . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.95 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.0 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.583 HG21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.999 HD12 ' HG2' ' A' ' 77' ' ' ARG . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 78' ' ' VAL . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.895 HD21 HG23 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.811 HD22 HD21 ' A' ' 66' ' ' LEU . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.612 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.654 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.977 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.931 ' SD ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' CG ' ' A' ' 73' ' ' ASP . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.68 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.999 ' HG2' HD12 ' A' ' 50' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 51' ' ' VAL . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.819 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.618 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.542 HG22 ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.448 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.533 HG22 HD11 ' A' ' 79' ' ' ILE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' HD11 ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 79' ' ' ILE . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.624 HG12 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.845 ' O ' HG23 ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 111' ' ' ILE . 8.1 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.008 HD21 HG22 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.94 ' CG ' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.691 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 18' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.934 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.866 HD21 ' CG ' ' A' ' 69' ' ' MET . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 1.008 HG22 HD21 ' A' ' 7' ' ' LEU . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 43' ' ' VAL . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.978 ' HB ' HG23 ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.107 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.702 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.934 HG21 ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.107 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.957 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.866 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 73' ' ' ASP . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' CD ' HD22 ' A' ' 50' ' ' LEU . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.978 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.618 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 55' ' ' MET . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.726 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.504 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.423 HG22 HD11 ' A' ' 79' ' ' ILE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.726 ' CB ' HG23 ' A' ' 90' ' ' ILE . 8.8 p-80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 107' ' ' ASP . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.633 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 16' ' ' ARG . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.854 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 8' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 18' ' ' LEU . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CD2' HD13 ' A' ' 6' ' ' ILE . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.76 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.76 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.923 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 43' ' ' VAL . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.983 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG13 HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.919 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' HE2' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.63 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.923 HG21 ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.936 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.618 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.983 ' HD2' HD22 ' A' ' 50' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.693 ' C ' HD22 ' A' ' 99' ' ' LEU . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.543 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.493 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.675 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.703 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.827 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.506 ' HB2' HG21 ' A' ' 80' ' ' ILE . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.929 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.703 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.681 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.599 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.866 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.786 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 19' ' ' LEU . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.725 ' N ' HD13 ' A' ' 19' ' ' LEU . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' LEU . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.866 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.739 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.972 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD11 ' HG3' ' A' ' 69' ' ' MET . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.786 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 39' ' ' ALA . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.012 ' HB ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.752 HD23 ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.752 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.488 ' HE1' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 ' HA ' ' HE2' ' A' ' 89' ' ' MET . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.972 HG21 ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.926 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.816 ' SD ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.924 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.012 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.714 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.71 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.924 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.558 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' A' ' 80' ' ' ILE . 20.7 p-80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.714 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 5' ' ' LYS . 20.9 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.639 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 52' ' ' LEU . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 HG13 ' A' ' 108' ' ' ILE . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.768 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.768 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HG2' ' A' ' 77' ' ' ARG . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.88 ' HB ' HG22 ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 66' ' ' LEU . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.504 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 53' ' ' LEU . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.774 HG23 ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.774 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.83 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.83 HD12 ' CG ' ' A' ' 61' ' ' ASP . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.883 HG21 ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.551 ' HG2' HD12 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.88 HG22 ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.694 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.742 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.754 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.812 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.484 ' HB2' HG21 ' A' ' 80' ' ' ILE . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.548 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.754 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 1.05 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 1.05 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.5 HG13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' ILE . 15.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 52' ' ' LEU . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.672 ' OD2' HG23 ' A' ' 57' ' ' ILE . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 18' ' ' LEU . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 26' ' ' GLU . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.582 ' O ' HG11 ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.936 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 39' ' ' ALA . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.79 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD21 ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.741 HG22 ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.861 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' CG ' ' A' ' 61' ' ' ASP . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.936 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.959 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.666 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' ILE . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 73' ' ' ASP . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.764 ' HG3' HD21 ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG23 HG13 ' A' ' 51' ' ' VAL . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.621 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.843 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.755 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.59 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 80' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.764 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.546 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.662 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.621 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' ILE . 7.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.967 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 52' ' ' LEU . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.599 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.599 HD11 ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.718 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 18' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.756 HG21 ' CD1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.78 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.8 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' HG11 ' A' ' 9' ' ' VAL . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.788 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.805 HG22 HD11 ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 49' ' ' ASP . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.128 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.765 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.802 HG23 ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.802 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.511 ' HE1' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.788 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.128 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.916 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.825 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 51' ' ' VAL . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.837 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.595 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.822 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.667 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CB ' HG23 ' A' ' 90' ' ' ILE . 40.2 p-80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.74 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 111' ' ' ILE . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 52' ' ' LEU . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' ALA . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD1' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 8' ' ' ILE . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.1 t30 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.765 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.944 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.514 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 77' ' ' ARG . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.972 ' HB ' HG23 ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD22 HD21 ' A' ' 66' ' ' LEU . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' C ' ' HE2' ' A' ' 55' ' ' MET . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.944 HG21 ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.986 HD21 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.865 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.972 HG23 ' HB ' ' A' ' 51' ' ' VAL . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.802 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 HG12 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.821 HG21 ' CD2' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 90' ' ' ILE . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 HD11 ' A' ' 79' ' ' ILE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.821 ' CD2' HG21 ' A' ' 90' ' ' ILE . 47.2 p-80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 111' ' ' ILE . 13.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.641 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.65 HD11 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.855 HG23 HD22 ' A' ' 52' ' ' LEU . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD23 HD11 ' A' ' 108' ' ' ILE . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.478 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.769 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD21 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.574 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.949 ' HB ' HG23 ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.855 HD22 HG23 ' A' ' 8' ' ' ILE . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.828 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.564 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.651 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' CA ' ' A' ' 62' ' ' GLY . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.562 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 61' ' ' ASP . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.566 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.685 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.949 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.988 HD11 HG22 ' A' ' 100' ' ' THR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.618 ' CE ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB2' ' HE2' ' A' ' 104' ' ' LYS . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.672 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.764 ' O ' HD13 ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.866 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.988 HG22 HD11 ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.727 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.782 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.835 ' CG1' HD23 ' A' ' 53' ' ' LEU . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.782 ' CE2' HG21 ' A' ' 6' ' ' ILE . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG12 ' A' ' 43' ' ' VAL . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.964 ' HB ' HG23 ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.968 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.589 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.951 HG21 ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.968 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.907 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.503 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.704 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.899 HG13 HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.881 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 90' ' ' ILE . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.482 ' HE2' ' SD ' ' A' ' 55' ' ' MET . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.53 HG22 ' CD1' ' A' ' 79' ' ' ILE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 10.4 p-80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 111' ' ' ILE . 4.6 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.926 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.855 HG21 ' CB ' ' A' ' 16' ' ' ARG . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 33' ' ' ALA . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.855 ' CB ' HG21 ' A' ' 8' ' ' ILE . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.679 HD11 ' NH1' ' A' ' 16' ' ' ARG . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 18' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.612 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.696 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.839 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 43' ' ' VAL . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 77' ' ' ARG . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.907 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.865 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.665 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.815 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.907 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.498 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 90' ' ' ILE . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.73 HG23 ' CB ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.861 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.73 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.405 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 18' ' ' LEU . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 111' ' ' ILE . 6.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.937 HG12 HD21 ' A' ' 52' ' ' LEU . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.834 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' LEU . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.552 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' HG12 ' A' ' 43' ' ' VAL . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.954 HD22 ' HD3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.079 HG13 HG23 ' A' ' 78' ' ' VAL . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 81' ' ' MET . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 66' ' ' LEU . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.621 ' N ' ' HE2' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.552 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.918 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.567 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.954 ' HD3' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' A' ' 100' ' ' THR . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.831 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 1.074 ' HE1' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.411 ' HE1' ' SD ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 86' ' ' GLU . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.65 ' H ' HD22 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 79' ' ' ILE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.689 ' HB2' HD11 ' A' ' 80' ' ' ILE . 1.6 p-80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.697 ' CE2' HD13 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.565 HG11 ' HZ ' ' A' ' 23' ' ' PHE . 56.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.633 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.795 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.704 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.634 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.698 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.7 t30 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.817 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.765 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.795 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 43' ' ' VAL . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' OE1' HG23 ' A' ' 42' ' ' ILE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 77' ' ' ARG . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.983 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 10' ' ' ASP . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' HE2' ' A' ' 89' ' ' MET . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.802 HG21 HD11 ' A' ' 53' ' ' LEU . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.937 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.941 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 99' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.634 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.537 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.511 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.738 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 111' ' ' ILE . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.9 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG21 ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.764 HG21 ' CB ' ' A' ' 16' ' ' ARG . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 35' ' ' ASN . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 6' ' ' ILE . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.947 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.778 HD21 ' HG3' ' A' ' 69' ' ' MET . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.696 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.015 ' HB ' HG22 ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.7 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.939 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.683 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.705 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.947 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.963 ' O ' HG23 ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 40' ' ' LEU . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.616 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HD2' HD23 ' A' ' 50' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.015 HG22 ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.852 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.655 ' HB2' HG21 ' A' ' 80' ' ' ILE . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 77' ' ' ARG . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.528 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 80' ' ' ILE . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.922 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.506 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.922 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.455 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 111' ' ' ILE . 74.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.811 HD11 HD11 ' A' ' 19' ' ' LEU . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 33' ' ' ALA . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 8' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 8' ' ' ILE . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' LEU . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' LEU . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.745 ' HZ ' HG11 ' A' ' 115' ' ' VAL . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.751 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.751 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.675 ' O ' HG13 ' A' ' 9' ' ' VAL . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.746 ' HA3' HD13 ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 66' ' ' LEU . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.644 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.876 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.876 HD12 ' CG ' ' A' ' 61' ' ' ASP . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA3' ' A' ' 36' ' ' GLY . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.555 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.896 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.87 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.515 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.767 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.618 HG22 ' ND1' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.612 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.896 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.69 HG22 HD11 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.618 ' ND1' HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 111' ' ' ILE . 46.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.77 HG12 HD21 ' A' ' 52' ' ' LEU . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CB ' HG21 ' A' ' 8' ' ' ILE . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' HE2' ' A' ' 23' ' ' PHE . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 18' ' ' LEU . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.791 ' CE2' HD13 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 57' ' ' ILE . 14.4 m120 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.576 HD22 ' HG2' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.056 HG13 HG23 ' A' ' 78' ' ' VAL . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HD21 ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.569 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.569 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.793 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.793 ' HD2' HD13 ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.533 ' HE3' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.902 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 61' ' ' ASP . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.028 HD21 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.965 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.773 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 73' ' ' ASP . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.816 ' HG3' HD21 ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.056 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.679 ' CE ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 87' ' ' LEU . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.74 ' HB2' HG21 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.816 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.709 HG21 ' HB1' ' A' ' 114' ' ' ALA . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.817 ' CG ' HG23 ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 79' ' ' ILE . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.709 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.546 0.212 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -167.84 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.32 83.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 15.3 tp10 -179.28 140.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 3.4 mttp -144.72 159.93 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.869 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -159.72 150.31 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -126.85 144.33 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 19' ' ' LEU . 8.6 mt -125.8 136.57 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -138.84 131.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' VAL . 23.6 t0 49.64 178.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.34 4.35 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 113.83 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.47 28.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.55 -3.56 53.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.67 -35.94 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 1.015 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -54.85 -36.85 65.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.015 HD11 ' NH2' ' A' ' 16' ' ' ARG . 16.9 mt -70.74 -45.03 75.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD23 ' HB ' ' A' ' 108' ' ' ILE . 2.0 tp -43.12 -57.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -71.22 -23.77 62.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.3 t-20 -65.21 -61.09 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -50.02 -28.8 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.3 -62.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.869 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 17.0 m-85 -65.56 -32.16 73.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.8 t30 -71.24 -37.2 72.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -51.88 -25.84 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 12.4 mm-40 -91.28 -22.09 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 105.23 9.49 33.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.608 ' CE1' ' CB ' ' A' ' 26' ' ' GLU . 8.8 m-30 -64.54 149.29 48.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.75 115.89 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 68.2 p -123.46 148.86 45.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.866 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -137.31 163.81 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 34.7 mt-30 -124.43 154.0 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.81 167.54 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.72 45.82 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 164.89 -176.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -80.28 -61.17 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.0 -57.3 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -31.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.28 -31.25 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.1 mt -63.4 -44.96 93.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.9 -51.45 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.866 HD12 ' CD2' ' A' ' 31' ' ' PHE . 3.8 mm -61.15 -21.13 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -66.17 -56.75 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' HG12 ' A' ' 43' ' ' VAL . 48.7 m -70.83 -34.38 71.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.99 -52.09 65.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 47' ' ' ARG . 19.3 mp0 -95.1 -2.08 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.83 61.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 163.58 35.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 50' ' ' LEU . 4.8 m-20 -93.52 4.17 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 HG22 ' A' ' 115' ' ' VAL . 0.1 OUTLIER -166.63 146.48 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.933 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.5 t -137.08 140.74 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -120.44 118.25 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 66' ' ' LEU . 7.8 tt -134.2 146.48 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HE3' ' A' ' 81' ' ' MET . 0.5 OUTLIER -107.47 131.14 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.8 mmt -54.9 -66.29 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 106.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 58' ' ' PRO . 63.2 mt -143.12 140.59 18.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.83 11.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.25 89.58 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 65' ' ' ILE . 1.3 ttp 73.8 90.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.834 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.09 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.31 -4.4 86.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.5 mt -49.94 -39.58 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -87.21 -49.16 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.0 mm -47.65 -65.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.992 HD11 HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -53.43 -31.48 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.4 mtpt -66.97 -63.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -55.98 -36.59 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.232 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.704 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.75 -55.56 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.92 -43.49 65.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 67' ' ' LYS . 66.9 t -56.91 -26.8 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mm -69.03 -46.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 76' ' ' ILE . 8.8 m-20 -150.87 150.52 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -97.28 9.92 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -7.25 20.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.0 tt -76.47 128.76 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.909 ' HD3' HD11 ' A' ' 99' ' ' LEU . 1.4 ttp-105 -120.04 114.35 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.933 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -140.69 150.13 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -107.52 142.67 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -104.47 153.15 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.471 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -140.57 125.38 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.8 149.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -55.62 144.9 25.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 32.2 p90 -68.69 57.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -116.56 -31.87 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.54 45.31 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -44.06 -36.58 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.534 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -66.48 -53.33 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.778 HG23 ' CG ' ' A' ' 101' ' ' HIS . 3.1 mt -47.3 -37.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.15 -58.25 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -45.59 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -49.0 -34.2 12.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -56.61 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -65.41 -12.42 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.521 ' CA ' ' HE2' ' A' ' 70' ' ' LYS . 1.6 mp -81.03 -20.2 42.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.9 26.97 8.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.29 164.53 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.909 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -71.78 -50.68 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 9.8 t -172.98 -165.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.778 ' CG ' HG23 ' A' ' 90' ' ' ILE . 2.9 m80 -146.43 119.68 8.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.1 m-85 -105.59 155.39 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.64 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.79 145.58 29.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.609 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -22.42 -61.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.64 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.78 154.38 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -114.89 140.38 49.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -43.08 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.14 -39.64 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.9 OUTLIER -70.47 -40.51 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 102' ' ' PHE . 22.5 mt -68.61 -22.91 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.4 mtm180 -71.16 -19.06 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -78.41 -49.87 12.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.073 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.82 98.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.59 HG12 ' HG ' ' A' ' 121' ' ' LEU . 54.7 t -69.27 -42.08 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -75.87 -14.66 60.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 -31.8 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.699 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 2.8 t80 -93.96 -45.89 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.505 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.2 mm? -107.4 158.53 32.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -74.97 57.87 4.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.59 ' HG ' HG12 ' A' ' 115' ' ' VAL . 0.2 OUTLIER -80.41 169.8 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.7 72.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 112' ' ' ARG . 41.7 t -98.99 140.4 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.6 t30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.471 0.177 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -165.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.27 101.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.2 tt0 -179.23 141.19 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.584 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -140.27 161.1 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.829 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -163.97 157.49 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.817 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -133.14 144.97 50.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.811 HG23 HD22 ' A' ' 52' ' ' LEU . 59.2 mt -125.78 106.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 33' ' ' ALA . 17.7 t -106.1 128.7 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' OD2' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-20 48.34 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 69.29 7.8 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 112.74 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.44 28.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.75 -5.84 37.47 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.78 -37.93 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.789 ' HB3' HG21 ' A' ' 8' ' ' ILE . 3.5 ptm180 -54.26 -37.91 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.3 mt -70.19 -43.51 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.77 -57.84 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.9 -22.27 61.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.0 t-20 -66.53 -58.73 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.87 -22.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.71 -61.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.829 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 14.5 m-85 -64.95 -34.55 78.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 6.2 t30 -69.92 -35.25 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.55 -22.09 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.642 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 34.2 mm-40 -96.02 -22.24 17.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.98 11.89 33.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.642 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 10.7 m-30 -64.87 149.51 49.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.64 108.85 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 50.6 p -117.01 138.99 51.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -126.79 164.38 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 5.2 mt-30 -121.56 153.6 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.19 167.66 19.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -130.69 45.76 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.2 m-20 160.13 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.785 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -82.95 -49.89 4.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.17 -55.32 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.05 -27.76 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.96 -30.71 24.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.2 mt -63.13 -42.37 99.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.63 -54.34 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 7' ' ' LEU . 1.1 mm -59.62 -26.91 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -51.36 -58.1 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -77.62 -36.67 51.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -40.62 77.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.24 -6.01 22.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.7 ptp85 24.93 60.38 0.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.817 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 156.94 42.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.817 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.76 0.07 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.028 HD11 ' CE1' ' A' ' 118' ' ' TYR . 5.2 tp -166.46 149.26 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.762 ' HB ' HG23 ' A' ' 78' ' ' VAL . 48.6 t -135.8 143.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -121.57 119.64 32.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 66' ' ' LEU . 2.8 tm? -131.46 141.25 49.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.63 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -106.51 145.56 31.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.63 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.0 mmt -60.94 -55.53 31.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' C ' ' CG1' ' A' ' 57' ' ' ILE . 5.7 mptt -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.703 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -166.56 163.56 11.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -74.97 126.13 9.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 54.58 109.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HE2' HG12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER 69.81 122.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.4 170.59 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.703 ' N ' HD11 ' A' ' 57' ' ' ILE . . . -87.21 42.02 3.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 89' ' ' MET . 2.0 mm -85.67 -46.06 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.15 -26.85 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -61.05 -61.66 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 53' ' ' LEU . 2.2 mm? -59.55 -34.04 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.949 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.96 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 15.8 mtp85 -56.02 -27.57 53.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.873 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -64.9 -50.72 65.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -76.4 -39.9 52.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 67' ' ' LYS . 34.3 t -61.97 -28.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.4 mm -74.79 -42.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -155.32 158.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.245 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -107.32 -12.19 15.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.06 -16.05 61.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 13.5 tt -66.65 128.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.672 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.1 ttp-105 -121.07 110.07 15.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.762 HG23 ' HB ' ' A' ' 51' ' ' VAL . 1.1 p -142.33 155.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER -117.86 143.79 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.857 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -102.73 156.53 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.552 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.15 125.6 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -171.16 143.57 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 157.41 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 32.5 p90 -72.87 54.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.89 -44.63 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 82' ' ' THR . 2.1 pt-20 -98.68 47.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.69 -39.04 16.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -47.7 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 4.4 ttt -67.32 -55.92 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.2 mt -44.75 -47.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -56.83 13.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.712 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -57.33 -27.06 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -50.56 47.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -54.94 -45.17 74.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.2 mp -68.67 -18.4 64.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.02 17.2 11.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.08 151.62 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.672 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.9 mm? -61.98 -48.0 82.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.62 HG22 ' CD1' ' A' ' 79' ' ' ILE . 8.8 t -167.34 -164.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.757 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.8 p-80 -145.56 121.51 10.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.1 m-85 -105.77 156.95 17.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.14 145.43 30.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -29.95 -58.8 0.28 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -74.93 93.85 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.96 154.7 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.76 142.26 46.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -67.29 -35.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -41.06 94.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.2 pt-20 -77.16 -26.4 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.8 mt -80.15 -22.71 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.4 mtp180 -67.26 -25.06 65.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -44.49 12.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 118' ' ' TYR . . . -71.14 -21.68 62.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.6 t -71.76 -27.45 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.09 66.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -93.79 -39.92 10.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.028 ' CE1' HD11 ' A' ' 50' ' ' LEU . 1.7 t80 -62.66 -46.29 88.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -84.59 144.53 42.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 122' ' ' LYS . 34.3 tp -91.74 165.73 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.583 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -41.48 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 141.15 57.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmm . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER 175.79 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 2' ' ' MET . 2.0 t-20 84.08 147.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 170.39 156.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.49 160.56 43.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.772 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -162.88 142.17 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -113.7 144.56 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.885 HG23 HD21 ' A' ' 52' ' ' LEU . 71.5 mt -123.62 107.01 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 33' ' ' ALA . 24.8 t -107.36 131.15 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER 43.45 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 1.6 t70 61.35 13.01 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.99 114.25 18.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.69 27.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.84 -7.69 38.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mp -89.61 -36.54 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 0.73 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.768 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -54.58 -38.44 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 10.1 mt -70.04 -43.59 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -59.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -23.13 63.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.4 t-20 -66.35 -60.7 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.47 -21.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 t -78.23 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 6' ' ' ILE . 20.6 m-85 -66.31 -35.04 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.29 -36.18 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -53.29 -20.99 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 11.0 mm-40 -94.96 -20.98 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.88 14.65 33.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 4' ' ' GLU . 15.4 m-30 -68.0 149.69 49.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.47 112.11 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 40.3 p -119.05 149.02 42.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -136.78 164.39 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 8.3 mt-30 -119.26 151.9 37.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.15 167.61 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -131.67 46.22 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 1.6 m-20 159.94 -174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.706 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -83.62 -55.81 2.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -50.92 -56.1 13.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -48.17 -30.05 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.22 -29.04 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.0 mt -62.94 -41.69 99.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -76.13 -52.26 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 HD11 ' A' ' 7' ' ' LEU . 1.2 mm -62.5 -20.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -57.14 -58.2 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' VAL . 37.9 m -76.57 -35.05 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -41.98 82.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.2 -5.52 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.78 60.5 0.48 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.846 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.95 156.5 43.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.576 ' OD2' HD11 ' A' ' 119' ' ' LEU . 9.4 m-20 -86.92 -8.2 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.13 HD13 ' CD1' ' A' ' 118' ' ' TYR . 2.9 tp -166.48 137.75 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.062 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -133.64 131.0 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.885 HD21 HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.13 122.36 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 54' ' ' ASP . 3.1 tt -127.6 135.27 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.945 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.8 130.7 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.567 ' CE ' ' N ' ' A' ' 55' ' ' MET . 17.5 mmt -54.82 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -53.57 105.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -137.96 154.73 74.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.02 125.98 9.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 111.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 ttp 49.4 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.655 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.2 173.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.3 -4.63 86.06 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 61' ' ' ASP . 8.7 mt -49.68 -44.51 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.64 -46.29 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.706 HG21 ' HA3' ' A' ' 36' ' ' GLY . 3.7 mt -48.82 -62.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD11 HD13 ' A' ' 53' ' ' LEU . 2.5 mm? -55.67 -30.25 60.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.969 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -68.25 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 4.6 mtp-105 -54.89 -35.33 63.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -56.64 -52.44 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.86 -44.04 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.9 t -58.68 -32.59 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.9 mm -73.42 -49.39 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.99 135.03 37.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.27 -20.58 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.9 -15.63 58.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 73' ' ' ASP . 1.4 tt -60.68 133.21 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.853 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.2 ttp180 -117.07 113.25 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.062 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -141.68 149.62 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.851 HG13 HD23 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -114.33 142.12 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.83 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -105.62 153.46 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.763 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.42 127.77 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.28 143.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 157.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -78.07 49.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.8 -25.13 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -123.59 49.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -45.24 -38.11 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -38.83 9.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -46.21 20.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.772 HG21 ' CD2' ' A' ' 101' ' ' HIS . 2.7 mp -55.78 -47.55 79.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -52.97 33.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.675 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -40.5 83.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -53.84 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.63 -13.33 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.5 mp -70.3 -18.36 63.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.65 23.29 6.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.64 142.67 38.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.853 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -53.51 -52.46 59.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 102' ' ' PHE . 4.4 t -160.25 175.91 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.384 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.772 ' CD2' HG21 ' A' ' 90' ' ' ILE . 56.6 p-80 -129.41 119.61 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 79' ' ' ILE . 18.6 m-30 -105.97 156.38 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.598 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.49 148.1 35.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -25.2 -59.61 0.15 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.07 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.96 154.93 46.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.65 142.27 39.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -72.71 -38.28 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -41.84 97.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.05 -33.84 75.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.8 mt -68.01 -25.45 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -21.26 66.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -55.62 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.06 72.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 111' ' ' ILE . 25.0 t -59.04 -39.02 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -59.92 -15.94 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -30.34 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.13 ' CD1' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -81.59 -48.92 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -131.46 146.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.978 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.07 56.28 4.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.518 HD12 ' H ' ' A' ' 122' ' ' LYS . 38.1 tp -90.42 165.74 13.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' H ' HD12 ' A' ' 121' ' ' LEU . 2.1 ttpt -49.55 121.49 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -67.98 129.9 41.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 mtt -141.98 -172.83 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 6.6 t-20 -169.42 158.77 8.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER 166.92 156.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -149.95 161.0 43.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -160.6 159.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.032 HD22 HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -133.21 144.5 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.828 HG21 ' CB ' ' A' ' 16' ' ' ARG . 56.7 mt -119.87 104.49 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.037 ' CG1' HD23 ' A' ' 53' ' ' LEU . 23.4 t -100.25 129.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.814 ' OD2' HG23 ' A' ' 57' ' ' ILE . 7.2 t0 42.12 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 60.75 13.8 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.93 114.26 19.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.72 28.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.64 37.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.8 mt -91.18 -39.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.828 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -52.84 -37.77 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.9 mt -69.71 -45.42 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -43.74 -56.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -73.31 -23.51 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 48.1 t-20 -63.6 -56.37 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -52.04 -31.92 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 18' ' ' LEU . 92.6 t -63.68 -60.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 6' ' ' ILE . 16.7 m-85 -67.03 -42.49 84.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' GLY . 16.7 t30 -59.01 -37.41 76.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.4 -21.69 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 7.1 mm-40 -94.35 -20.99 19.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 97.1 11.7 51.78 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 26' ' ' GLU . 16.3 m-30 -68.78 149.37 49.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 121.0 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.9 p -126.29 148.36 49.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -138.11 164.63 28.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.2 tt0 -125.83 141.08 52.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.97 167.75 14.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.33 44.21 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 170.13 -175.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.925 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -85.36 -51.14 3.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -58.45 8.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.0 -29.69 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' VAL . . . -79.61 -40.9 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 ' SD ' ' A' ' 69' ' ' MET . 38.4 mt -54.64 -49.04 71.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -61.49 -60.81 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.883 HG22 HD11 ' A' ' 7' ' ' LEU . 2.5 mm -51.38 -39.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 HD22 ' A' ' 7' ' ' LEU . 2.3 t -63.05 -43.47 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -52.79 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -75.4 -7.3 53.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.2 ptp180 25.9 60.2 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.791 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.93 159.24 41.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -99.34 1.24 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.009 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.46 118.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.964 HG13 HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -126.03 145.87 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.621 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -114.82 141.93 47.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.037 HD23 ' CG1' ' A' ' 9' ' ' VAL . 1.9 tm? -146.2 140.67 26.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.815 ' H ' HD22 ' A' ' 53' ' ' LEU . 6.0 t0 -97.95 157.96 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -82.26 -39.67 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -78.17 117.29 19.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.814 HG23 ' OD2' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -144.56 165.42 23.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.99 126.18 9.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 56.66 114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.492 ' HE1' HG12 ' A' ' 65' ' ' ILE . 4.6 tmm? 68.75 112.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -63.24 179.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.465 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -90.29 -12.85 60.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.607 HD12 ' CG ' ' A' ' 61' ' ' ASP . 6.0 mt -44.92 -36.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.89 -50.98 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.925 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.8 mm -45.54 -63.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.2 mm? -51.73 -39.08 57.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.974 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.41 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -31.19 65.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.645 ' SD ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.09 -51.21 68.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 111.021 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.5 -43.21 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.9 t -59.81 -28.99 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG22 ' CG ' ' A' ' 73' ' ' ASP . 3.9 mm -76.11 -40.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.789 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -151.14 119.3 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.95 -20.01 53.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -79.25 -14.57 58.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -57.28 135.87 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 1.009 ' HD2' HD22 ' A' ' 50' ' ' LEU . 7.5 ttp180 -121.36 111.02 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.17 155.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.015 HD11 HG22 ' A' ' 100' ' ' THR . 0.4 OUTLIER -109.22 141.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.815 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -110.28 153.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.09 132.56 25.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -178.26 148.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.376 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -54.67 157.98 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -83.11 39.32 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.51 -38.85 3.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.81 53.15 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -44.59 -38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.21 -49.97 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -66.38 -55.87 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.681 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -50.3 -50.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -53.09 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -62.04 -31.21 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -63.42 -41.12 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -67.89 -46.02 72.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -14.17 61.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.4 mp -72.14 -18.18 61.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.59 26.79 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.26 147.59 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.35 -52.18 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 1.015 HG22 HD11 ' A' ' 79' ' ' ILE . 9.4 t -164.99 166.08 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.681 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -118.45 129.73 55.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CE2' HG12 ' A' ' 111' ' ' ILE . 22.9 m-30 -105.9 156.84 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -105.04 145.93 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 103' ' ' ALA . 4.4 mttt -23.56 -62.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -121.48 154.75 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 3.1 t0 -114.53 143.4 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -71.93 -31.27 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.7 -40.36 92.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -71.72 -23.96 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 102' ' ' PHE . 2.3 mt -75.05 -34.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 108' ' ' ILE . 18.8 mtp180 -62.73 -19.61 64.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -44.68 33.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.68 -21.83 54.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.555 ' CG1' HD13 ' A' ' 121' ' ' LEU . 2.6 t -83.31 -35.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -16.87 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -91.56 -34.57 14.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.629 ' OH ' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -93.85 -45.81 7.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -105.98 149.34 37.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.02 56.14 4.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.555 HD13 ' CG1' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -89.13 170.06 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 118.8 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.3 m -63.96 105.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.464 0.173 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.84 171.11 14.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.621 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -93.79 -167.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 119' ' ' LEU . 1.8 tt0 64.44 141.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 mtpp -151.82 142.29 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.95 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -148.62 149.97 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -131.98 145.85 51.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.895 HG23 HD21 ' A' ' 52' ' ' LEU . 15.8 mt -108.69 147.38 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 33' ' ' ALA . 3.7 t -150.82 125.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.668 ' HB2' HD11 ' A' ' 57' ' ' ILE . 3.1 t70 46.08 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.553 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 8.1 t70 60.62 12.24 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 112.8 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.19 27.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.87 -4.62 46.03 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.73 -38.15 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.803 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -51.03 -37.41 45.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.52 HD11 ' NH1' ' A' ' 16' ' ' ARG . 22.8 mt -70.05 -46.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 HG12 ' A' ' 108' ' ' ILE . 5.6 tp -42.8 -56.03 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.36 -24.55 61.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 45.7 t-20 -64.04 -59.87 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -54.86 -23.26 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.81 -58.48 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.95 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 23.4 m-85 -68.73 -37.78 79.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.1 t30 -65.07 -36.04 83.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -52.09 -21.58 3.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.1 mm-40 -95.74 -21.85 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 104.15 4.19 44.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 7.1 m-30 -64.87 141.16 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 133.76 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.4 p -132.16 150.14 52.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -143.68 163.2 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.0 tt0 -125.29 140.69 52.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -126.18 166.73 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -124.1 42.21 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 157.73 -177.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -88.95 -41.0 6.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -53.25 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.95 -25.59 67.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.52 -26.02 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.5 mt -62.42 -40.98 98.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.0 -55.49 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.583 HG21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -58.71 -23.64 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.43 -56.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.5 m -79.8 -34.93 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.21 81.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mm-40 -103.03 -8.4 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.8 ptp180 28.55 61.21 0.71 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' CD ' ' O ' ' A' ' 43' ' ' VAL . 18.2 Cg_endo -75.01 158.32 42.23 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.45 -10.99 44.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 118' ' ' TYR . 2.5 tp -167.83 132.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 78' ' ' VAL . 1.5 p -133.3 133.98 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.895 HD21 HG23 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -94.17 132.62 38.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.811 HD22 HD21 ' A' ' 66' ' ' LEU . 6.3 tt -140.04 133.76 30.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.4 t0 -96.57 129.05 44.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.612 ' HE2' HD23 ' A' ' 53' ' ' LEU . 16.5 mmt -54.18 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.01 106.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -139.12 153.91 71.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.73 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.44 111.74 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.495 ' CE ' HG12 ' A' ' 65' ' ' ILE . 3.5 ttp 58.74 96.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 0.81 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.37 175.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.654 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -92.17 -5.26 65.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 89' ' ' MET . 28.4 mt -52.08 -36.28 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.32 -46.53 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 8.0 mm -46.44 -63.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.1 -37.32 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.977 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.8 mttt -61.99 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -51.94 -34.63 42.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.931 ' SD ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -55.11 -58.28 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.82 -41.42 71.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 67' ' ' LYS . 41.5 t -57.93 -30.9 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG22 ' CG ' ' A' ' 73' ' ' ASP . 2.3 mm -77.0 -45.78 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.68 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -140.31 127.25 20.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.76 6.32 35.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -111.93 -5.44 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -68.75 132.19 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.999 ' HG2' HD12 ' A' ' 50' ' ' LEU . 7.6 ttm105 -109.68 114.42 28.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 51' ' ' VAL . 22.7 t -141.06 152.26 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.819 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -119.94 141.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -103.74 154.06 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.618 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -140.03 127.05 20.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.542 HG22 ' CD1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 178.37 145.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.14 158.1 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.2 p90 -67.23 -150.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 76.88 -52.93 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.61 42.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -45.45 -34.22 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.54 8.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.41 -49.13 35.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.471 HG23 ' ND1' ' A' ' 101' ' ' HIS . 2.8 mp -54.76 -36.55 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -58.43 8.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -50.78 28.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.448 ' HB2' ' NE2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -48.56 -34.9 12.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -52.15 47.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.92 -15.46 63.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.7 mp -74.51 -19.68 60.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.25 27.24 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.4 146.32 31.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -61.34 -53.5 55.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.533 HG22 HD11 ' A' ' 79' ' ' ILE . 6.0 t -161.14 -175.11 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' HD11 ' A' ' 80' ' ' ILE . 3.3 m80 -141.95 127.76 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 79' ' ' ILE . 19.0 m-85 -105.71 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.049 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -108.76 148.02 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.59 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.7 mttt -23.8 -60.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.0 Cg_endo -75.07 92.69 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -130.16 155.15 46.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 5.2 t0 -114.05 142.52 46.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.624 HG12 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.11 -23.58 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -37.16 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 1.6 pt-20 -75.69 -25.04 56.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.845 ' O ' HG23 ' A' ' 115' ' ' VAL . 17.7 mt -78.34 -20.67 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 3.4 mtp180 -73.56 -19.65 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -50.95 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.65 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 111' ' ' ILE . 8.1 t -62.11 -40.22 86.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -61.43 -14.53 29.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -107.13 -27.5 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.04 ' CD1' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -83.82 -48.93 9.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -134.25 146.38 59.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 122' ' ' LYS . 42.6 tp -93.2 165.85 12.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.565 ' H ' HD12 ' A' ' 121' ' ' LEU . 11.5 tmtt? -49.75 121.83 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -51.44 143.76 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 mtp 66.13 98.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p30 177.71 -164.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -173.82 153.03 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -148.32 140.41 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -141.39 159.58 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.008 HD21 HG22 ' A' ' 42' ' ' ILE . 1.6 tp -132.68 144.98 50.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 26.9 mt -124.78 132.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 10' ' ' ASP . 26.9 t -133.97 133.11 56.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.94 ' CG ' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 40.0 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 10.2 t70 59.49 12.7 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.83 114.43 20.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.7 30.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.99 -8.53 39.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.91 -41.75 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 4.6 ptm180 -50.13 -37.53 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.6 mt -67.71 -47.88 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.4 tp -44.53 -53.53 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -75.53 -19.68 59.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.691 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 53.3 t-20 -68.01 -62.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 20.5 tt0 -50.78 -21.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 18' ' ' LEU . 69.5 t -70.48 -62.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -73.71 -38.05 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.709 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 3.3 t30 -59.57 -32.48 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 3.7 mttp -51.16 -30.28 16.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 6.9 mm-40 -88.9 -21.66 23.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.45 20.33 56.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 22.1 m-85 -64.48 150.93 45.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -71.62 114.98 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.351 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 23' ' ' PHE . 12.3 p -127.98 158.71 37.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.719 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -145.58 164.8 30.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.2 tt0 -127.84 147.98 50.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.91 166.97 22.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.12 42.27 3.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 174.46 176.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.934 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -84.34 -45.91 6.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.93 -55.77 23.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -22.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.27 -31.8 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.866 HD21 ' CG ' ' A' ' 69' ' ' MET . 14.5 mt -59.19 -42.46 90.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.92 -57.19 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.008 HG22 HD21 ' A' ' 7' ' ' LEU . 2.7 mm -58.25 -22.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.3 t -63.32 -57.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 43' ' ' VAL . 33.5 m -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -51.82 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.2 mp0 -96.27 -1.07 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.59 64.6 0.38 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 160.29 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.641 ' CB ' HD21 ' A' ' 119' ' ' LEU . 1.3 m-20 -94.4 3.29 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -165.25 138.68 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.978 ' HB ' HG23 ' A' ' 78' ' ' VAL . 44.0 t -135.75 143.94 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.3 112.26 19.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.107 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.4 tm? -122.93 141.62 51.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.702 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -101.85 147.06 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.623 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.4 mmt -62.29 -63.94 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 14.3 tttt -57.04 139.73 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -169.5 150.49 4.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.04 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.44 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.42 93.29 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttp 62.08 111.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 179.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.85 -7.19 84.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 89' ' ' MET . 2.3 mm -45.14 -43.77 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.16 -49.03 7.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.934 HG21 ' HA3' ' A' ' 36' ' ' GLY . 7.8 mt -46.78 -64.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.107 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.5 mm? -49.22 -41.39 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.957 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -60.32 -63.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 72' ' ' ILE . 31.8 mtp180 -55.56 -37.04 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.866 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -53.8 -58.68 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -66.5 -43.39 85.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 67' ' ' LYS . 47.4 t -58.74 -27.98 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . 7.9 mm -83.7 -50.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -125.33 125.72 43.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.43 4.06 54.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -107.57 -7.0 16.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 73' ' ' ASP . 9.2 tt -65.87 132.94 31.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.9 ttp-105 -121.36 108.38 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.978 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -141.91 146.19 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.618 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -102.97 143.3 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.84 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 152.97 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -141.84 124.6 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 55' ' ' MET . 0.0 OUTLIER -174.14 147.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.26 157.9 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 42.3 p90 -77.78 49.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.51 -42.95 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.09 51.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mt -44.33 -35.85 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -56.78 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -64.56 -48.3 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.726 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.7 mt -52.75 -52.64 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.61 -52.78 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.67 -40.82 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.504 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -57.82 -50.65 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -48.6 80.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.17 -11.82 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.3 mp -78.12 -17.81 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.2 18.29 9.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.94 178.57 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.952 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -90.15 -52.44 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.423 HG22 HD11 ' A' ' 79' ' ' ILE . 2.8 t -165.99 159.96 16.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.726 ' CB ' HG23 ' A' ' 90' ' ' ILE . 8.8 p-80 -116.48 124.0 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 79' ' ' ILE . 23.4 m-85 -104.83 156.5 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -102.4 142.95 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 103' ' ' ALA . 7.3 mttt -23.65 -61.91 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -126.89 155.04 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -115.01 133.65 55.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.351 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -49.99 -47.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.417 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -46.37 -38.26 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.5 OUTLIER -72.56 -37.31 68.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 107' ' ' ASP . 1.5 mp -71.03 -28.67 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 90.8 mtt180 -69.01 -18.94 64.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.19 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.42 80.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 119' ' ' LEU . 2.0 t -74.66 -29.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 3.4 ttpt -79.93 -17.95 51.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -89.77 -38.25 13.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.952 ' CE2' HD12 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -93.56 -44.66 8.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.759 ' CD1' HD11 ' A' ' 6' ' ' ILE . 2.9 mt -100.15 126.69 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.563 1.823 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 122' ' ' LYS . 36.0 tp -90.26 166.06 13.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' H ' HD12 ' A' ' 121' ' ' LEU . 12.7 tmtt? -46.81 134.17 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.8 p -62.26 141.52 58.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.494 0.188 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 155.95 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 172.36 143.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -177.77 149.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -147.57 160.36 42.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 HD13 ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -165.1 152.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -132.54 144.58 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 16' ' ' ARG . 26.2 mt -117.36 131.49 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' ASP . 19.3 t -131.33 132.75 62.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.8 m-20 47.25 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 3.0 t70 61.95 11.18 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' CB ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.08 111.61 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.63 26.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.24 1.96 35.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.53 -42.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.854 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.5 ptt85 -48.95 -50.97 32.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 71.8 mt -54.58 -53.32 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.2 tp -42.0 -59.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 HD11 ' A' ' 8' ' ' ILE . 3.8 pp -70.09 -22.3 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 24' ' ' ASN . 39.6 t-20 -65.83 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.28 -24.56 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 18' ' ' LEU . 74.4 t -69.64 -49.52 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CD2' HD13 ' A' ' 6' ' ' ILE . 5.8 m-85 -86.82 -18.79 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.0 t30 -65.6 -30.44 71.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -52.62 -19.47 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' ASN . 5.6 mm-40 -91.21 -21.67 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 88.33 13.2 64.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.76 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.26 149.97 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.21 136.55 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.76 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.0 p -129.07 159.45 35.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -150.65 148.77 29.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 20.3 mp0 -115.65 147.82 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.5 167.37 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.61 46.48 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 175.15 -179.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.923 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -93.09 -35.85 6.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -70.6 -53.01 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.92 -25.43 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.7 -25.41 30.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 69' ' ' MET . 12.2 mt -70.23 -43.83 69.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -48.14 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -68.89 -23.35 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -55.26 -54.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 43' ' ' VAL . 32.2 m -76.68 -34.74 58.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.4 92.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -102.42 -5.86 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.226 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER 25.06 60.69 0.43 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.99 160.05 40.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.901 ' CB ' HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -97.19 -1.66 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.983 HD22 ' HD2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -168.27 118.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG13 HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -120.65 133.13 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.919 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -107.31 126.72 52.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' HE2' ' A' ' 55' ' ' MET . 2.7 tt -134.99 149.76 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -106.25 139.54 40.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.63 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.7 mmt -58.11 -71.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 4.3 ptmt -46.07 115.26 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 60' ' ' MET . 34.8 mt -137.33 132.03 17.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 18.5 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 85.71 -8.08 74.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 mtp 163.57 119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 158.57 32.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.77 34.15 4.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 37.8 mt -80.01 -48.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.41 -26.01 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.923 HG21 ' HA3' ' A' ' 36' ' ' GLY . 21.1 mt -64.63 -61.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 66' ' ' LEU . 4.5 mm? -59.22 -28.58 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.936 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -63.56 -64.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -56.41 -34.82 67.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.618 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.42 -54.56 45.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.8 -42.18 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.1 t -60.58 -26.34 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mm -80.23 -40.03 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 70' ' ' LYS . 27.5 m-20 -147.42 145.39 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.86 13.91 33.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -107.2 -8.53 16.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.7 tt -60.23 131.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.983 ' HD2' HD22 ' A' ' 50' ' ' LEU . 12.4 ttp180 -121.26 108.4 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.693 ' C ' HD22 ' A' ' 99' ' ' LEU . 60.6 t -143.76 158.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.637 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -115.18 142.71 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -108.2 153.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.543 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.36 126.71 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.493 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -177.39 143.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -55.93 157.6 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 38.2 p90 -74.18 53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.73 -39.03 1.01 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.0 pt-20 -104.06 49.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.26 -36.74 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -57.95 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.675 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 9.3 tpt -63.21 -44.69 94.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.703 HG23 ' CB ' ' A' ' 101' ' ' HIS . 5.0 mt -56.58 -56.55 13.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -50.86 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.827 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.59 -48.07 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.506 ' HB2' HG21 ' A' ' 80' ' ' ILE . 44.4 p -58.54 -48.03 82.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.43 -47.44 81.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -11.36 60.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -75.55 -17.47 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.36 27.15 4.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 173.11 11.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.929 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -65.67 -51.02 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 101' ' ' HIS . 8.3 t -173.72 -154.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.703 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -147.4 125.28 11.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.637 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 20.2 m-30 -113.11 157.82 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.623 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -111.31 146.89 36.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -23.91 -60.25 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.96 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.623 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.8 155.21 46.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -112.86 143.22 44.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.681 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -69.22 -39.97 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.13 -44.66 87.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 1.4 pt-20 -68.75 -22.77 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.599 HG12 ' CE2' ' A' ' 102' ' ' PHE . 25.5 mt -82.37 -17.86 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.2 mtm180 -77.33 -18.31 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -46.46 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.93 80.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 119' ' ' LEU . 29.7 t -78.47 -19.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -82.11 -31.91 30.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -83.58 -30.19 27.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 1.1 t80 -95.0 -45.33 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -109.66 152.71 43.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.978 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.426 ' HG ' HG12 ' A' ' 115' ' ' VAL . 0.5 OUTLIER -77.51 169.6 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -45.46 126.4 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -66.65 107.81 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.058 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.47 0.176 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -174.17 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -144.9 140.17 28.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -161.94 149.79 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 mmmt -140.17 138.05 34.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.866 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -150.85 152.85 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.786 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -133.31 144.89 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 19' ' ' LEU . 20.3 mt -114.3 147.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 35' ' ' ASN . 10.6 t -150.44 133.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 10.9 m-20 48.42 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 5.9 t70 61.74 11.53 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.51 114.28 15.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.6 28.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.3 -8.2 41.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.64 -37.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 8' ' ' ILE . 5.5 ptm180 -53.43 -37.97 63.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 4.2 mt -72.87 -34.76 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tp -50.12 -61.27 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.21 -20.88 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.725 ' N ' HD13 ' A' ' 19' ' ' LEU . 49.6 t-20 -64.75 -58.35 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -49.13 -34.2 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' LEU . 65.9 t -60.13 -62.56 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.866 ' CZ ' HD13 ' A' ' 6' ' ' ILE . 8.3 m-85 -67.33 -37.52 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -63.9 -37.32 86.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -52.11 -21.94 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 60.4 mm-40 -94.33 -21.69 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 98.05 16.6 32.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 17.4 m-30 -70.88 148.5 47.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.81 123.38 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.4 p -130.49 144.23 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.739 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.14 164.32 27.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.8 tt0 -125.56 146.23 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -133.49 166.11 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.02 44.83 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -179.06 -167.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.972 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -107.2 -32.14 3.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -48.56 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.97 -16.51 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.14 -38.45 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD11 ' HG3' ' A' ' 69' ' ' MET . 71.1 mt -61.45 -53.17 60.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -57.01 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.786 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -62.08 -47.84 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 39' ' ' ALA . 4.0 t -50.8 -31.22 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -79.95 -35.38 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -26.72 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.4 mt-10 -103.6 -6.7 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER 24.74 61.59 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.94 153.38 42.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.38 -4.25 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -164.99 146.31 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.012 ' HB ' HG23 ' A' ' 78' ' ' VAL . 52.9 t -137.43 145.06 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -121.01 116.8 25.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.752 HD23 ' HE2' ' A' ' 55' ' ' MET . 6.3 tt -135.46 149.0 49.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -108.9 133.36 53.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.752 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.8 mmt -57.11 -68.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -46.09 121.39 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp -172.35 135.95 0.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.01 135.07 18.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' MET . . . 93.56 63.88 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.488 ' HE1' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 79.74 91.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.48 174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.06 -2.76 64.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 ' HA ' ' HE2' ' A' ' 89' ' ' MET . 69.7 mt -51.24 -43.42 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.94 -44.97 11.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.972 HG21 ' HA3' ' A' ' 36' ' ' GLY . 8.2 mt -49.35 -62.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CD2' ' SD ' ' A' ' 55' ' ' MET . 1.6 mm? -55.64 -34.51 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.926 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -64.45 -63.92 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 6.2 mtp85 -56.98 -29.72 63.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.816 ' SD ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -61.83 -52.28 64.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.55 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.13 -39.95 60.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 67' ' ' LYS . 48.6 t -61.45 -28.88 44.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.6 mm -75.38 -46.42 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -149.01 160.16 43.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.59 -14.06 14.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -73.82 -18.36 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 12.1 tt -66.31 124.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.924 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.0 ttp-105 -121.04 110.66 16.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.012 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.66 150.78 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.714 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -105.44 142.77 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -104.79 153.55 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.96 125.67 19.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -174.25 144.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.92 157.57 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 50.4 p90 -80.6 47.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.77 -22.02 7.9 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.01 49.88 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.46 -39.8 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -42.52 16.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.6 tmt? -76.73 -44.98 31.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.71 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.9 mt -56.5 -48.31 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.66 -53.83 27.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -50.53 -55.19 17.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.83 56.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' GLU . 10.1 tttt -65.47 -66.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 1.8 tp10 -52.5 -19.87 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -65.13 -18.31 65.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.96 23.21 6.86 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.7 175.29 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.229 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.924 HD11 ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -75.15 -49.62 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.558 HG21 ' CE1' ' A' ' 102' ' ' PHE . 10.0 t -171.37 -166.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' A' ' 80' ' ' ILE . 20.7 p-80 -145.07 118.27 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.714 ' CE2' HD13 ' A' ' 79' ' ' ILE . 19.7 m-30 -106.88 156.3 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -106.13 145.79 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.63 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -20.78 -61.87 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 84.32 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.87 154.91 36.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -113.66 144.35 43.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -75.1 -37.61 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -43.63 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 3.1 pt-20 -71.47 -27.53 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 102' ' ' PHE . 18.0 mt -78.51 -26.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 17.4 mtp180 -68.27 -20.91 64.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -48.8 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.09 90.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.7 HG12 ' HB2' ' A' ' 121' ' ' LEU . 54.9 t -69.83 -35.73 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.46 -14.83 59.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -95.25 -31.92 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 99' ' ' LEU . 1.7 t80 -93.98 -45.46 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 118' ' ' TYR . 4.1 mm? -115.36 160.66 33.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 119' ' ' LEU . 18.0 Cg_endo -75.07 57.11 4.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.793 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.7 ' HB2' HG12 ' A' ' 115' ' ' VAL . 37.8 tp -75.32 166.06 24.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.533 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -43.88 130.76 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.4 p -80.89 117.68 21.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 2' ' ' MET . 14.3 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 178.68 157.5 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -122.8 170.47 10.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.871 ' OE2' HD21 ' A' ' 121' ' ' LEU . 20.9 tt0 67.14 144.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -144.52 160.64 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.78 148.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.639 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.24 144.84 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.902 HG23 ' CD2' ' A' ' 52' ' ' LEU . 22.2 mt -117.8 139.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.6 t -132.61 128.98 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 47.13 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t70 65.55 7.48 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 112.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.66 27.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.074 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 -9.26 39.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mp -86.28 -41.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' HG21 ' A' ' 8' ' ' ILE . 6.3 ptm180 -47.46 -37.96 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 23.0 mt -72.71 -46.8 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 HG13 ' A' ' 108' ' ' ILE . 2.0 tt -42.95 -55.58 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -72.51 -23.36 61.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 24' ' ' ASN . 49.1 t-20 -64.34 -62.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.06 -30.12 10.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.17 -52.92 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 9.4 m-85 -81.66 -25.37 35.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 20' ' ' ASN . 2.0 t30 -59.46 -30.4 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -52.31 -20.77 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.02 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.42 13.25 61.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.768 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.7 148.98 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.967 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.82 137.25 35.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.768 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 29.8 p -129.73 158.01 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -148.38 149.24 31.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.4 mp0 -117.4 151.66 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.98 167.07 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.76 44.09 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 175.02 -178.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.86 -46.93 4.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -61.7 -55.99 24.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.08 -26.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.19 -34.71 23.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' LEU . 12.4 mt -66.69 -46.21 76.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -51.76 66.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -66.3 -30.88 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.66 -52.12 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.5 m -70.59 -36.16 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -51.7 66.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.1 mt-10 -87.93 -4.11 58.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.55 60.72 0.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -75.03 164.71 32.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.08 1.71 52.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.122 HD11 ' CD1' ' A' ' 118' ' ' TYR . 4.1 tp -164.71 144.51 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.88 ' HB ' HG22 ' A' ' 78' ' ' VAL . 5.6 t -136.85 141.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -119.62 116.43 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 66' ' ' LEU . 9.5 tt -127.27 146.68 50.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.504 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -108.12 128.04 54.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 53' ' ' LEU . 14.3 mmt -56.43 -64.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -50.71 108.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.774 HG23 ' HD2' ' A' ' 58' ' ' PRO . 93.1 mt -142.42 143.72 28.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.774 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -75.04 126.97 10.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 95.98 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.419 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 2.8 ttp 63.83 84.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.83 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.14 172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -85.17 0.0 88.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.83 HD12 ' CG ' ' A' ' 61' ' ' ASP . 22.1 mt -48.96 -39.8 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -87.1 -49.25 7.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.883 HG21 ' HA3' ' A' ' 36' ' ' GLY . 4.3 mt -46.88 -62.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.67 -35.6 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.948 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 mttt -61.77 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.0 mtp180 -53.92 -33.54 56.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -55.85 -54.28 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.57 -42.5 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -59.76 -31.14 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.1 mm -73.5 -51.7 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -142.01 159.41 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -113.78 -6.81 13.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.63 -12.08 56.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 6.3 tt -68.04 133.09 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.551 ' HG2' HD12 ' A' ' 50' ' ' LEU . 4.7 ttp-105 -121.42 108.05 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.88 HG22 ' HB ' ' A' ' 51' ' ' VAL . 79.9 t -143.49 155.94 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.694 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.9 OUTLIER -118.65 141.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.838 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -99.62 153.97 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.554 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.51 125.59 19.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -174.51 143.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.79 156.97 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.38 51.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.01 -17.88 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -130.61 49.21 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mt -45.59 -38.84 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -45.55 -42.6 11.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.742 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -77.24 -46.2 23.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.754 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.0 mt -55.44 -46.51 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.25 -53.13 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.812 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.3 -37.27 69.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' HB2' HG21 ' A' ' 80' ' ' ILE . 3.8 p -59.27 -47.07 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -63.48 -49.9 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -69.21 -11.08 60.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.6 mp -74.91 -18.6 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.34 26.1 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 165.44 16.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.548 HD11 ' HD3' ' A' ' 77' ' ' ARG . 2.0 mm? -62.13 -47.62 83.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.6 t -174.26 -159.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.754 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.6 p-80 -144.11 126.02 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -106.56 161.09 14.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 1.05 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -122.32 143.97 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.4 -53.21 19.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 70.05 5.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 1.05 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m-85 -130.19 162.61 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -94.82 143.72 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.5 HG13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -75.08 -29.0 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.43 -45.31 63.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 111' ' ' ILE . 4.1 pt-20 -64.25 -35.23 80.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.7 mt -62.66 -29.97 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.85 -22.63 64.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -48.8 10.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.08 69.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' ILE . 15.3 t -64.08 -30.54 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -50.53 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -27.01 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.122 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -70.28 -42.61 71.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.944 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -150.61 141.67 14.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.944 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 56.48 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.871 HD21 ' OE2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -69.33 170.21 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' LEU . 8.8 ttpt -40.11 140.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 110.46 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 mmt -108.52 -174.74 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.601 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 6.2 m-20 -119.96 162.28 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 2.4 tt0 60.5 143.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.4 mtpp -151.39 147.33 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.744 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -148.71 150.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -132.73 144.44 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 52' ' ' LEU . 6.9 mt -121.08 137.83 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' O ' ' A' ' 35' ' ' ASN . 4.8 t -131.94 127.0 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.672 ' OD2' HG23 ' A' ' 57' ' ' ILE . 4.7 t70 43.46 -168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 9.3 t70 65.18 8.05 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 111.88 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.95 27.8 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.97 -4.81 45.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.3 mp -91.23 -35.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -55.81 -38.71 70.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.3 mt -69.19 -45.41 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -42.63 -58.45 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.77 -23.93 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.0 t-20 -64.7 -59.0 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -51.9 -25.45 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 18' ' ' LEU . 55.7 t -74.76 -60.3 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 6' ' ' ILE . 5.3 m-30 -64.81 -40.66 95.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.2 t30 -61.66 -37.78 85.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -21.43 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 58.4 mm-40 -93.03 -21.52 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 95.56 7.87 58.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 15.0 m-30 -64.18 149.21 48.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.3 119.23 23.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.9 p -126.57 151.03 48.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -142.68 164.26 30.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.9 tt0 -126.12 145.57 50.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -128.45 167.83 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.35 43.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.582 ' O ' HG11 ' A' ' 9' ' ' VAL . 6.8 m-20 171.05 -179.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.936 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -89.0 -37.35 7.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -54.74 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -19.93 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.97 -37.42 29.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 69' ' ' MET . 53.0 mt -58.74 -52.2 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -59.75 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 31' ' ' PHE . 1.1 mm -57.84 -31.06 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 39' ' ' ALA . 2.2 t -66.13 -47.55 84.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 m -66.62 -34.2 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -52.43 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.2 mm-40 -79.57 -4.1 49.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.62 60.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 156.23 43.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CB ' HD21 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -96.39 2.33 52.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.85 117.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.79 HG13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -123.16 130.58 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -104.65 134.55 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD21 ' A' ' 66' ' ' LEU . 1.7 tt -140.09 151.5 45.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 55' ' ' MET . 1.1 t0 -109.38 135.87 49.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.678 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -57.47 -60.53 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 20.4 mttt -65.28 127.06 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.741 HG22 ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -157.29 160.77 30.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.741 ' HD2' HG22 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 126.12 9.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' PRO . . . 58.01 117.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 tpt 61.22 103.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.861 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -71.51 178.54 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.94 31.93 8.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' CG ' ' A' ' 61' ' ' ASP . 15.0 mt -80.63 -50.65 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.06 -22.21 27.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.936 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.6 mt -66.83 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.959 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mp -60.14 -29.5 68.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mttt -65.2 -64.7 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 3.8 mtp-105 -56.05 -28.83 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.666 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -61.95 -53.0 61.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -75.01 -39.6 61.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 35.3 t -62.43 -28.32 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.1 mm -74.28 -37.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' ILE . 2.8 m-20 -161.24 155.84 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -104.76 -11.92 16.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.9 -17.39 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 73' ' ' ASP . 6.3 tt -67.71 132.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.764 ' HG3' HD21 ' A' ' 99' ' ' LEU . 10.0 ttm180 -119.56 110.93 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG23 HG13 ' A' ' 51' ' ' VAL . 1.3 p -139.47 142.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.621 HD13 ' CE2' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -102.69 142.86 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.843 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.49 153.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.755 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.63 134.68 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER 175.47 144.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.06 157.87 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -80.57 46.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.97 -18.85 10.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.89 53.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.16 -37.77 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.61 -45.96 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.59 ' HE3' ' CG ' ' A' ' 55' ' ' MET . 5.8 tpt -73.26 -55.22 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -50.42 -43.73 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -57.39 9.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.343 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -54.77 -38.87 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 80' ' ' ILE . 4.1 p -54.88 -38.23 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -69.46 -52.9 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -11.37 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -78.5 -18.52 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.54 7.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.03 145.39 35.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.764 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.546 HG23 ' CZ ' ' A' ' 102' ' ' PHE . 1.6 t -166.15 155.13 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.662 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -109.27 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.621 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.0 m-30 -105.78 156.31 18.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -113.16 148.47 35.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -27.41 -60.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -121.18 155.52 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 5.2 t0 -105.62 144.23 32.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -76.22 -29.07 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -74.14 -46.07 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 9.0 pt-20 -66.31 -30.29 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.9 mt -67.78 -25.34 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.98 -25.13 66.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -56.08 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -56.82 -31.84 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.73 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 7.1 t -55.48 -41.71 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -48.85 -24.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -111.12 -29.73 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.744 ' OH ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -73.58 -22.41 60.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.966 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 170.64 144.99 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.03 56.96 4.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 122' ' ' LYS . 37.9 tp -90.44 166.35 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.548 ' H ' HD12 ' A' ' 121' ' ' LEU . 7.0 tptt -41.31 119.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -93.89 144.04 25.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.518 0.199 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 mmt 54.25 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 6.8 p-10 169.9 137.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -176.17 153.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.8 mtpt -138.8 147.94 43.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -151.66 150.99 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.967 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -122.15 144.35 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 52' ' ' LEU . 25.6 mt -127.16 111.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 33' ' ' ALA . 6.6 t -115.22 134.58 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 45.78 -172.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CB ' ' CE ' ' A' ' 81' ' ' MET . 10.1 t70 67.81 8.83 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.43 114.08 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.62 27.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.29 34.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.39 -37.88 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.599 ' NH2' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.94 -37.46 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.599 HD11 ' NH2' ' A' ' 16' ' ' ARG . 13.0 mt -65.33 -46.77 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 tt -46.17 -55.36 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.4 -18.66 60.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.718 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 58.4 t-20 -67.88 -61.18 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 31.8 tt0 -51.4 -20.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 18' ' ' LEU . 53.3 t -72.61 -62.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.756 ' CD1' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -72.05 -37.75 69.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 12.2 t30 -62.12 -32.32 72.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 5.0 mttt -52.0 -25.9 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 16.4 mm-40 -92.97 -22.2 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.81 37.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 4' ' ' GLU . 22.6 m-85 -65.13 149.99 48.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.59 101.83 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.756 HG21 ' CD1' ' A' ' 23' ' ' PHE . 39.8 p -118.45 158.35 25.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.78 ' CD2' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -139.57 162.61 34.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.8 tt0 -121.02 144.91 48.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -128.84 168.08 16.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.2 43.21 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' HG11 ' A' ' 9' ' ' VAL . 1.9 m-20 159.52 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.788 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -84.61 -48.34 5.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -56.94 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -25.14 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.33 -33.21 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.6 mt -58.83 -44.98 91.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.4 -54.49 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.805 HG22 HD11 ' A' ' 7' ' ' LEU . 2.8 mm -57.77 -23.04 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.4 t -63.9 -55.63 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 m -74.27 -35.11 63.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.14 79.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.9 mm-40 -102.37 -3.72 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.87 62.71 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.339 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -84.81 -3.09 58.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.117 HD22 HD12 ' A' ' 119' ' ' LEU . 1.1 tp -159.15 149.24 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 7' ' ' LEU . 3.5 t -138.18 140.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -119.72 115.79 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.128 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.0 tm? -132.29 142.05 49.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.765 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -104.69 158.86 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.591 ' N ' ' CE ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.71 -75.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -43.25 108.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.802 HG23 ' HD2' ' A' ' 58' ' ' PRO . 23.7 mt -137.09 143.92 44.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.802 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.4 Cg_endo -74.96 127.35 10.64 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.85 90.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.511 ' HE1' HG12 ' A' ' 65' ' ' ILE . 6.6 ttp 74.3 89.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -95.64 48.06 1.87 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.595 ' HA ' ' HE1' ' A' ' 89' ' ' MET . 75.1 mt -88.47 -48.82 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.54 -26.72 27.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.788 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.4 mm -57.84 -61.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.128 HD21 ' CD1' ' A' ' 53' ' ' LEU . 2.9 mm? -57.93 -47.26 83.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.916 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -50.75 -63.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 24.5 mtp180 -53.34 -36.76 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.825 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.96 -56.44 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.529 ' CD ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.15 -42.92 65.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.7 t -59.19 -28.0 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.5 mm -79.64 -51.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.6 -7.69 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.45 -9.2 36.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 73' ' ' ASP . 0.8 OUTLIER -64.9 135.25 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' HD3' HD11 ' A' ' 99' ' ' LEU . 3.6 ttp-105 -120.62 110.55 16.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 51' ' ' VAL . 87.1 t -142.19 156.16 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 118' ' ' TYR . 1.4 mt -119.75 142.73 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.837 HD12 ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -98.92 154.42 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.536 ' CE ' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -140.39 125.83 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER 179.62 153.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.74 ' HB2' ' HD3' ' A' ' 104' ' ' LYS . . . -56.39 157.98 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -84.35 41.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.01 -32.13 4.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 5.6 pt-20 -105.53 52.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -45.56 -39.58 7.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.91 -49.86 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.595 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 3.6 tpt -69.1 -54.41 15.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 101' ' ' HIS . 3.5 mt -45.23 -41.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -62.44 -48.45 79.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.822 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.12 -20.93 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.667 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -81.27 -51.02 8.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 95' ' ' GLU . 12.5 pttt -63.13 -58.4 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 4.0 tp10 -56.36 -18.67 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -66.04 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.18 25.65 6.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.94 161.06 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD11 ' HD3' ' A' ' 77' ' ' ARG . 1.4 mm? -62.67 -47.02 85.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 79' ' ' ILE . 4.1 t -174.86 170.65 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.538 ' CB ' HG23 ' A' ' 90' ' ' ILE . 40.2 p-80 -121.7 124.01 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.6 m-85 -105.39 156.63 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.587 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -101.53 146.57 27.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.74 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -31.48 -58.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.01 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.53 154.84 46.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.02 143.03 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.3 OUTLIER -65.97 -39.74 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.43 -43.75 84.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.0 pt-20 -74.85 -27.32 60.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.3 mt -80.1 -20.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 2.1 mtp180 -70.72 -23.69 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.64 -43.3 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.64 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 111' ' ' ILE . 3.0 t -62.97 -34.05 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -44.35 91.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -41.52 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.891 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 t80 -52.38 -47.63 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.117 HD12 HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.32 152.72 44.1 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.0 Cg_endo -75.08 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 122' ' ' LYS . 35.9 tp -95.54 165.93 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.535 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 ttmt -42.91 113.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.9 p -54.88 122.91 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.423 ' HE3' ' CG ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -135.97 -173.74 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -111.79 165.74 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 17.4 tt0 61.06 140.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -139.27 158.99 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.916 HD11 ' OH ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -167.45 153.4 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -133.61 145.44 50.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 52' ' ' LEU . 48.4 mt -120.35 106.02 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' ALA . 5.9 t -96.62 129.39 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' OD1' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 41.91 -165.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 4.0 t70 61.38 12.28 4.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 108.62 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.9 26.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.63 -8.9 34.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.06 -36.33 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.353 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 8' ' ' ILE . 4.1 ptm180 -53.47 -36.95 62.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 20' ' ' ASN . 2.9 mt -74.18 -27.76 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.84 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.16 -20.83 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.5 t30 -62.97 -61.71 2.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.4 -39.53 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.86 -59.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 26.1 m-85 -73.91 -38.1 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.1 t30 -47.88 -30.02 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -52.51 -19.75 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.44 -21.47 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.14 13.46 61.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.05 148.96 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' CG ' ' HE3' ' A' ' 2' ' ' MET . 5.4 tt0 -81.85 133.51 35.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.765 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 50.4 p -125.95 148.11 49.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.434 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.68 151.09 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.7 mp0 -112.13 151.75 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -135.46 168.43 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -129.8 46.84 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.0 m-20 158.79 -176.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.944 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -87.44 -43.96 5.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.32 -54.22 49.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.78 -28.82 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.88 -27.28 26.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.4 mt -64.37 -41.46 96.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.12 -51.14 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -62.99 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -52.18 -57.19 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.514 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.1 m -77.84 -36.1 50.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -39.94 81.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.32 -7.61 20.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER 27.36 59.61 0.57 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.4 Cg_endo -74.97 151.06 39.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.26 -4.43 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.129 HD22 ' CE2' ' A' ' 118' ' ' TYR . 9.2 tp -166.19 150.25 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.972 ' HB ' HG23 ' A' ' 78' ' ' VAL . 88.5 t -135.79 143.19 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -118.36 108.76 15.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD22 HD21 ' A' ' 66' ' ' LEU . 10.4 tt -121.96 144.14 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' C ' ' HE2' ' A' ' 55' ' ' MET . 2.2 t0 -101.54 122.69 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.6 mmt -54.56 -55.47 28.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 mttt -64.86 108.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' O ' ' A' ' 54' ' ' ASP . 13.0 mm -136.59 130.39 17.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.64 22.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.6 -19.13 34.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 65' ' ' ILE . 0.7 OUTLIER 172.9 106.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.44 -177.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -117.35 45.22 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 mt -86.12 -45.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -29.95 21.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.944 HG21 ' HA3' ' A' ' 36' ' ' GLY . 50.3 mt -60.52 -62.15 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.986 HD21 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -57.6 -32.07 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -61.61 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -53.19 -29.65 33.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 76' ' ' ILE . 1.3 ttt -59.13 -55.36 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.47 -40.52 70.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.4 t -59.75 -31.57 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 mm -71.58 -40.3 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -160.7 157.62 27.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -106.12 -13.92 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.61 -16.55 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.5 tt -66.62 134.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.865 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -121.23 108.44 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.972 HG23 ' HB ' ' A' ' 51' ' ' VAL . 2.3 p -140.91 148.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -113.19 142.56 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.802 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -106.66 155.0 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -139.87 127.83 22.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 HG12 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -175.41 144.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.82 157.64 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -79.6 47.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.74 -28.02 5.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 90' ' ' ILE . 2.4 pt-20 -120.28 49.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -44.93 -38.74 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -37.82 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 55' ' ' MET . 1.1 tmt? -82.13 -45.28 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.821 HG21 ' CD2' ' A' ' 101' ' ' HIS . 3.3 mt -58.18 -42.85 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -49.71 69.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -56.39 -51.01 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' ' 90' ' ' ILE . 0.4 OUTLIER -55.09 -34.63 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.67 44.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.3 -11.66 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -72.52 -18.21 61.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.17 26.66 5.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.25 144.53 29.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.44 -52.06 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 HD11 ' A' ' 79' ' ' ILE . 4.0 t -163.64 -176.92 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.453 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.821 ' CD2' HG21 ' A' ' 90' ' ' ILE . 47.2 p-80 -133.32 120.78 21.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.0 m-85 -106.13 157.03 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -114.33 147.6 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -24.9 -59.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.04 93.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.51 155.03 46.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.935 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 143.51 44.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -72.38 -31.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.28 -40.6 97.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 111' ' ' ILE . 2.9 pt-20 -75.66 -25.88 57.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.9 mt -78.32 -23.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 5.8 mtp180 -70.87 -19.75 62.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.08 -25.36 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 111' ' ' ILE . 13.7 t -69.9 -22.09 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.56 -14.25 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -25.84 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.129 ' CE2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.81 -48.39 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.939 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -135.83 145.38 52.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.98 55.55 3.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.545 HD12 ' H ' ' A' ' 122' ' ' LYS . 46.3 tp -90.99 166.25 13.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -48.24 141.15 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 p -85.18 131.91 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -161.0 31.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 1.9 p-10 -163.19 129.78 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -51.21 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 13.5 mmmt -147.19 137.63 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.503 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -152.98 152.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.65 HD11 ' CB ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -134.29 144.95 48.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.855 HG23 HD22 ' A' ' 52' ' ' LEU . 36.6 mt -117.96 146.12 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 53' ' ' LEU . 4.8 t -147.42 133.49 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' VAL . 15.8 m-20 50.74 176.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' HB2' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 64.43 9.38 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -80.68 108.33 14.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.92 28.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.39 -9.8 35.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.1 -43.96 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 6.6 ptm180 -44.16 -39.33 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 17.4 mt -68.55 -46.44 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD23 HD11 ' A' ' 108' ' ' ILE . 2.4 tp -43.22 -57.07 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -71.63 -23.65 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.478 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 47.1 t-20 -64.15 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -50.74 -30.72 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.01 -54.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 121' ' ' LEU . 35.6 m-85 -80.02 -33.1 39.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -51.57 -29.74 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -52.14 -20.03 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' ASN . 35.8 mt-10 -92.26 -22.05 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.93 12.86 61.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -65.33 145.39 56.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.86 132.36 36.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.769 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 20.5 p -124.43 157.22 35.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.65 ' CB ' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -146.8 152.65 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 4.2 tt0 -114.35 145.69 41.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -136.25 167.62 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 50.19 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 164.44 -178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.39 -47.1 5.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -56.16 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.28 -32.91 26.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.05 -32.39 26.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD21 ' CG ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.05 -43.07 79.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -49.58 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.574 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.3 mt -71.15 -22.31 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -56.74 -40.42 70.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 m -90.15 -34.36 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.6 mm-40 -103.72 -6.9 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 25.75 59.35 0.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.2 Cg_endo -75.02 145.56 31.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' HB3' HD11 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -75.33 -4.88 41.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.025 HD11 ' CD1' ' A' ' 118' ' ' TYR . 2.4 tp -161.07 148.86 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.949 ' HB ' HG23 ' A' ' 78' ' ' VAL . 58.1 t -135.78 146.02 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.855 HD22 HG23 ' A' ' 8' ' ' ILE . 2.4 tt -121.22 118.62 30.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.828 ' CD1' HD21 ' A' ' 66' ' ' LEU . 3.4 tm? -132.23 135.99 46.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.564 ' C ' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -101.26 135.35 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.651 ' N ' ' HE2' ' A' ' 55' ' ' MET . 19.0 mmt -59.09 -68.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 3.5 tttt -44.6 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' CA ' ' A' ' 62' ' ' GLY . 9.3 mt -123.09 119.22 27.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.2 16.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.58 -10.01 73.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.417 1.073 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.477 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER 171.91 92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.53 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.562 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . -98.17 -8.37 55.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 61' ' ' ASP . 3.6 mt -45.64 -37.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.37 -51.65 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 36' ' ' GLY . 14.4 mm -46.5 -63.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -54.92 -30.74 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -67.81 -64.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 51.4 mtt180 -57.18 -27.23 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.566 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.6 -49.94 69.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' CD ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -77.03 -41.07 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 24.1 t -60.72 -31.53 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 2.3 mm -68.76 -41.65 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LYS . 1.5 m-20 -160.87 158.84 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -101.22 -15.96 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -71.55 -17.05 62.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' A' ' 69' ' ' MET . 10.6 tt -65.81 127.57 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.685 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.7 ttm180 -121.8 109.88 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.949 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -142.57 146.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.988 HD11 HG22 ' A' ' 100' ' ' THR . 0.3 OUTLIER -104.33 142.83 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 80' ' ' ILE . 1.2 pp -99.62 153.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.618 ' CE ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -138.71 125.75 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' MET . 0.5 OUTLIER 178.75 147.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB2' ' HE2' ' A' ' 104' ' ' LYS . . . -56.32 157.74 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.672 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 10.9 p90 -80.55 45.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.99 -3.93 39.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.2 pt-20 -141.31 49.85 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.18 -38.3 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.4 -43.37 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 55' ' ' MET . 1.3 tmt? -76.15 -46.0 30.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.4 mp -57.32 -47.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -52.87 -52.91 55.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.764 ' O ' HD13 ' A' ' 96' ' ' LEU . 3.5 mt-10 -55.92 -37.41 68.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -43.64 98.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -66.06 -48.22 71.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.16 -11.19 60.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 92' ' ' GLU . 1.3 mp -76.67 -17.03 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.26 26.83 5.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.3 20.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.866 HD22 ' H ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -54.8 -51.94 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.988 HG22 HD11 ' A' ' 79' ' ' ILE . 14.0 t -171.36 -162.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.727 ' CB ' HG23 ' A' ' 90' ' ' ILE . 1.2 p-80 -145.16 129.88 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 79' ' ' ILE . 22.8 m-85 -113.38 156.58 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -104.74 147.25 27.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -30.7 -58.5 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.9 154.39 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -114.15 143.48 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -66.46 -35.16 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -42.69 99.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.8 pt-20 -75.84 -27.14 57.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 115' ' ' VAL . 6.6 mt -78.19 -22.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 4.5 mmp_? -68.76 -23.54 64.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -42.4 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.77 67.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.7 t -64.07 -30.24 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.05 -48.02 82.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -75.78 -37.93 58.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 1.025 ' CD1' HD11 ' A' ' 50' ' ' LEU . 1.1 t80 -62.93 -46.19 88.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -146.56 142.15 17.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 23' ' ' PHE . 42.9 tp -87.41 166.09 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.533 ' H ' HD12 ' A' ' 121' ' ' LEU . 11.0 ttpt -45.24 108.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.89 130.7 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' MET . 1.4 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.488 0.185 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' MET . 14.2 mtt 38.27 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.5 166.31 18.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.653 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -177.84 152.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -141.26 148.38 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.782 HG21 ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -155.72 130.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -107.5 142.36 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 32' ' ' GLN . 18.5 mt -119.02 105.59 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.835 ' CG1' HD23 ' A' ' 53' ' ' LEU . 41.2 t -102.98 129.23 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER 43.18 -165.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 23.4 t0 63.69 9.16 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.62 113.26 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 28.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.88 -7.29 38.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' HD23 ' A' ' 19' ' ' LEU . 2.6 mp -90.82 -40.61 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 8' ' ' ILE . 6.8 ptm180 -50.04 -37.99 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.1 mt -67.75 -48.37 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -54.56 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.6 -24.68 58.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.498 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.7 t-20 -61.09 -53.77 52.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -57.75 -35.68 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 19' ' ' LEU . 3.6 t -55.91 -48.65 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.782 ' CE2' HG21 ' A' ' 6' ' ' ILE . 2.5 m-85 -83.72 -52.47 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -53.61 -20.34 5.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -26.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.666 ' CD ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -111.93 -23.79 10.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.27 33.35 4.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.666 ' CE1' ' CD ' ' A' ' 26' ' ' GLU . 11.4 m-85 -64.31 149.74 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 2.8 mt-30 -72.05 100.49 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 82.4 p -123.46 151.95 42.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -144.76 163.41 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.22 154.74 34.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.3 167.35 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.32 43.77 3.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 2.2 m-20 165.33 -174.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.951 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -91.24 -39.6 5.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.81 -56.36 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -51.81 -25.8 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.07 -28.03 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.739 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.5 mt -63.34 -40.49 97.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -74.03 -53.29 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.705 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.36 -24.17 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -53.34 -57.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG12 ' A' ' 43' ' ' VAL . 84.8 m -77.05 -35.83 56.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -40.95 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.577 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 mm-40 -102.85 -5.23 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 24.2 60.91 0.4 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.774 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 157.11 42.92 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.554 ' CG ' HD21 ' A' ' 119' ' ' LEU . 1.5 t0 -87.68 -2.18 58.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -165.63 141.22 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.964 ' HB ' HG23 ' A' ' 78' ' ' VAL . 26.5 t -136.61 145.21 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.48 116.33 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.968 ' CD1' HD21 ' A' ' 66' ' ' LEU . 2.9 tm? -126.29 138.93 53.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.589 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 t0 -97.91 137.19 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.592 ' CE ' ' N ' ' A' ' 55' ' ' MET . 18.1 mmt -58.79 -66.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.9 tttt -58.6 115.98 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.27 154.03 49.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 107.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttp 52.98 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.2 179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.46 -5.16 82.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG12 ' CE ' ' A' ' 89' ' ' MET . 1.3 mm -44.25 -42.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.46 -49.09 7.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.951 HG21 ' HA3' ' A' ' 36' ' ' GLY . 5.7 mt -46.79 -64.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.968 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.1 mm? -53.35 -33.51 53.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.907 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.1 mttm -66.35 -63.91 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.4 mtp85 -54.07 -33.29 57.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -55.46 -56.92 14.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.23 -41.06 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -60.07 -29.84 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.2 mm -67.95 -48.06 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -152.37 157.67 41.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.3 10.63 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -101.46 -11.9 18.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.503 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.1 tt -73.54 131.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.704 ' HG3' HD21 ' A' ' 99' ' ' LEU . 7.5 ttp-105 -117.95 110.93 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.41 144.92 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.899 HG13 HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -107.78 141.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.881 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -103.31 155.13 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -139.84 126.7 20.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -173.44 143.26 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.89 157.96 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' TYR . 34.8 p90 -74.72 53.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.39 -31.98 2.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 90' ' ' ILE . 1.2 pt-20 -113.55 47.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mt -44.65 -38.21 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.28 -54.71 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.482 ' HE2' ' SD ' ' A' ' 55' ' ' MET . 5.5 ttt -65.52 -47.9 74.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.65 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 4.8 mt -53.63 -55.01 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -51.1 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -56.89 -51.58 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -34.49 57.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.15 -48.54 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.89 -11.42 60.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -73.69 -17.34 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.55 4.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.9 154.27 22.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -60.52 -52.56 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.53 HG22 ' CD1' ' A' ' 79' ' ' ILE . 10.0 t -164.29 -166.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.65 ' CG ' ' CG2' ' A' ' 90' ' ' ILE . 10.4 p-80 -145.4 121.0 10.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' HD13 ' A' ' 79' ' ' ILE . 21.3 m-85 -106.07 156.78 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.546 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -109.77 148.04 32.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -28.65 -59.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -74.96 95.46 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -128.54 154.84 45.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 1.3 t70 -113.7 146.17 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.15 -31.45 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.06 -46.66 67.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' ASP . 6.7 pt-20 -70.68 -31.09 67.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.3 mt -67.6 -25.99 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -61.04 -24.25 66.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -57.2 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.82 -34.65 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.712 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 4.6 t -53.53 -42.36 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -47.45 -24.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 115' ' ' VAL . 30.8 mtmm -109.21 -31.61 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.712 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -72.85 -22.68 60.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 172.32 144.59 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.1 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 122' ' ' LYS . 43.4 tp -95.08 166.07 12.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -39.73 109.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.3 m -92.54 121.66 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.936 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.512 0.196 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -168.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.45 151.71 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER 176.02 152.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.926 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -144.48 161.14 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -160.5 155.79 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.16 143.19 49.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.855 HG21 ' CB ' ' A' ' 16' ' ' ARG . 35.2 mt -124.86 113.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 33' ' ' ALA . 98.6 t -114.14 132.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 3.2 m-20 50.59 177.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.71 8.4 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' CD ' ' OE1' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -77.31 114.44 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.48 27.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.06 -7.93 31.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 mt -90.56 -37.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.855 ' CB ' HG21 ' A' ' 8' ' ' ILE . 2.2 ptm180 -54.96 -39.0 68.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.679 HD11 ' NH1' ' A' ' 16' ' ' ARG . 9.1 mt -68.07 -44.42 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tp -43.95 -57.66 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -72.05 -22.2 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.499 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -66.39 -59.27 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.54 -23.79 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 18' ' ' LEU . 79.6 t -71.16 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 22.8 m-85 -78.47 -28.51 46.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -73.54 -33.58 64.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -52.73 -21.36 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.5 mm-40 -93.75 -20.89 19.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 102.28 22.01 10.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 11.5 m-30 -80.32 149.19 30.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.29 118.55 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 20.9 p -120.71 144.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -128.25 165.07 21.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -126.71 145.85 50.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG22 ' A' ' 9' ' ' VAL . . . -129.74 168.23 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.5 45.14 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.612 ' O ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER 163.76 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.696 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -86.53 -52.57 3.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -53.17 -57.64 9.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -49.11 -27.12 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' VAL . . . -84.03 -31.8 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.815 HD21 ' CG ' ' A' ' 69' ' ' MET . 11.3 mt -61.49 -42.53 98.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -55.36 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.839 ' CG2' HD21 ' A' ' 7' ' ' LEU . 1.2 mm -58.4 -26.51 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -54.66 -57.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' HG12 ' A' ' 43' ' ' VAL . 20.1 m -75.82 -36.88 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.83 -41.22 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -102.68 -5.34 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 23.82 61.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.96 160.84 39.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.19 -6.14 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' CE1' ' A' ' 118' ' ' TYR . 3.8 mt -157.55 148.53 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.907 ' HB ' HG23 ' A' ' 78' ' ' VAL . 18.2 t -135.3 137.81 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.32 116.99 26.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' A' ' 66' ' ' LEU . 1.9 tm? -133.37 144.99 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.865 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.65 162.49 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.571 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.9 -92.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 8.0 mttt -34.97 135.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.1 tp 176.45 137.93 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 125.94 9.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.65 96.13 1.01 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 61.23 90.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.86 177.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.665 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -88.82 -25.78 28.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.82 -44.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.67 -47.35 8.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA3' ' A' ' 36' ' ' GLY . 1.1 mm -46.76 -62.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 53' ' ' LEU . 1.3 mm? -55.37 -37.98 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.9 mttt -59.89 -64.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ILE . 3.3 mtp-105 -55.3 -37.14 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.815 ' CG ' HD21 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -54.89 -55.42 30.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.08 -43.58 67.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' LYS . 44.8 t -59.18 -28.83 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.8 mm -81.18 -51.84 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -130.96 128.12 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.59 0.71 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.62 -10.35 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 2.3 tt -62.3 136.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 50' ' ' LEU . 11.2 ttp-105 -121.59 108.79 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.907 HG23 ' HB ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -143.12 142.43 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.922 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.5 OUTLIER -102.77 143.59 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.839 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -100.16 153.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.498 ' HE1' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.88 125.27 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -176.47 147.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 157.84 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.643 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 7.6 p90 -81.9 42.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.17 -17.34 12.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' C ' HD12 ' A' ' 90' ' ' ILE . 6.6 pt-20 -126.01 51.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -45.41 -40.24 7.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -57.79 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 55' ' ' MET . 3.0 tpt -63.21 -48.4 78.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.73 HG23 ' CB ' ' A' ' 101' ' ' HIS . 4.9 mt -51.09 -52.38 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.65 50.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 96' ' ' LEU . 1.3 mt-10 -50.61 -54.66 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.56 ' CB ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -50.43 -30.58 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -76.32 -45.62 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.72 -11.53 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -76.25 -17.51 59.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.07 27.4 4.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -80.67 175.14 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.861 ' H ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -85.65 -52.73 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 t -165.11 169.54 16.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.73 ' CB ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -125.37 120.98 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.623 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 21.5 m-85 -105.65 156.71 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LYS . . . -97.45 147.72 23.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -36.17 -57.81 1.03 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.04 84.17 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.786 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -130.97 162.69 29.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.405 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -115.2 144.01 44.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.401 HG12 HD23 ' A' ' 18' ' ' LEU . 1.2 mp -70.76 -36.73 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.71 -40.94 66.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -71.26 -38.54 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 115' ' ' VAL . 16.8 mt -66.03 -25.17 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.8 -25.85 68.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.24 -41.7 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.77 -22.46 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 111' ' ' ILE . 6.2 t -67.33 -28.64 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -62.46 -32.63 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -99.5 -44.36 6.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.922 ' CE2' HD12 ' A' ' 79' ' ' ILE . 2.3 t80 -65.87 -35.04 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 50' ' ' LEU . 6.1 tt -110.14 134.02 20.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.05 56.36 4.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.643 ' HB2' HD22 ' A' ' 119' ' ' LEU . 37.4 tp -94.15 165.89 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.569 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.67 138.76 46.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.7 m -61.86 118.56 7.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.02 172.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 2.9 t30 172.84 159.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER 165.82 160.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -146.26 160.49 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -165.37 147.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -134.23 144.01 48.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.937 HG12 HD21 ' A' ' 52' ' ' LEU . 26.1 mt -115.03 106.12 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.3 t -104.71 124.25 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' VAL . 39.2 m-20 46.97 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 7.0 t70 65.13 8.81 5.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.0 108.37 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.72 27.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.73 -10.33 52.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -80.85 -36.87 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.834 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -48.48 -41.43 29.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 11.4 mt -65.3 -46.54 90.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -44.51 -56.87 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -72.5 -23.17 60.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 49.0 t-20 -62.83 -63.1 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.47 -24.34 45.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' LEU . 3.6 t -67.17 -50.47 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' CZ ' HD13 ' A' ' 121' ' ' LEU . 23.3 m-85 -86.36 -28.3 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.6 t30 -48.68 -37.48 18.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -52.19 -20.14 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -88.32 -22.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 85.35 11.6 74.97 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.738 ' CZ ' ' CG2' ' A' ' 30' ' ' THR . 0.1 OUTLIER -64.77 149.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 111.035 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.07 130.45 35.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.738 ' CG2' ' CZ ' ' A' ' 28' ' ' TYR . 72.8 p -122.57 159.34 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -153.59 150.37 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.058 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 2.5 tt0 -119.04 138.73 52.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 9' ' ' VAL . . . -130.03 163.82 25.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.5 43.68 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.24 -173.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.552 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -95.52 -42.13 3.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -57.43 12.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.99 -27.69 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -84.82 -27.34 26.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 69' ' ' MET . 11.9 mt -62.19 -41.87 98.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.13 -53.22 9.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.19 -22.59 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -55.96 -57.77 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' HG12 ' A' ' 43' ' ' VAL . 29.7 m -76.99 -35.73 56.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -40.75 76.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -103.65 -7.94 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 27.61 59.64 0.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.1 Cg_endo -75.12 149.24 35.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -94.61 0.47 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.954 HD22 ' HD3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -159.9 112.59 2.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.079 HG13 HG23 ' A' ' 78' ' ' VAL . 2.3 p -129.91 145.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 81' ' ' MET . 0.6 OUTLIER -117.97 130.19 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 66' ' ' LEU . 5.8 tt -136.69 132.56 35.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.57 130.89 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.621 ' N ' ' HE2' ' A' ' 55' ' ' MET . 16.6 mmt -56.08 -69.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -46.34 115.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -159.81 138.22 7.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.01 126.29 9.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 74.02 1.19 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 65' ' ' ILE . 6.5 ttp 72.86 97.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -44.36 167.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 65' ' ' ILE . . . -81.38 -6.53 89.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.4 mt -50.0 -35.72 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.37 -49.79 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.552 ' CG2' ' HA3' ' A' ' 36' ' ' GLY . 8.9 mt -46.63 -62.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 53' ' ' LEU . 1.8 mm? -54.88 -32.59 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.918 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -64.23 -63.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 17.9 mtp180 -54.17 -36.33 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.567 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.57 -56.15 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -71.26 -43.09 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 67' ' ' LYS . 42.7 t -59.61 -28.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 2.0 mm -75.96 -48.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.01 162.57 40.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -111.75 -16.24 13.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.27 -17.86 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 69' ' ' MET . 3.6 tt -67.19 133.26 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.954 ' HD3' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -118.82 113.16 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -139.52 145.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' A' ' 100' ' ' THR . 1.4 mt -112.08 142.84 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.831 ' C ' HD12 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -101.36 149.93 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 1.074 ' HE1' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -140.61 124.45 17.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -179.07 154.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.58 157.89 4.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 53.7 p90 -75.38 -151.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 82.9 -50.86 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 90' ' ' ILE . 2.8 pt-20 -88.55 45.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -44.98 -34.61 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.37 -57.94 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.411 ' HE1' ' SD ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -60.41 -60.29 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 86' ' ' GLU . 4.1 mp -45.17 -48.03 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.35 -57.57 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -53.48 -39.61 64.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.1 p -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -72.76 -50.41 24.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.89 -16.37 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 67' ' ' LYS . 1.3 mp -72.1 -17.88 61.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.5 14.05 15.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -66.34 158.5 29.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.705 HD12 ' HE2' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -78.53 -50.11 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 79' ' ' ILE . 5.8 t -162.2 169.49 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.689 ' HB2' HD11 ' A' ' 80' ' ' ILE . 1.6 p-80 -134.31 123.81 24.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.652 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.697 ' CE2' HD13 ' A' ' 79' ' ' ILE . 26.4 m-85 -106.04 156.78 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.58 148.55 24.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -23.17 -60.56 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.09 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.83 152.31 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.484 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.12 139.79 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -46.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.71 -37.89 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.7 OUTLIER -71.56 -41.07 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.632 HG12 ' CE2' ' A' ' 102' ' ' PHE . 7.6 mt -67.84 -35.03 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 21.6 mtp180 -64.05 -19.17 65.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -55.54 5.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.645 HG12 ' HB2' ' A' ' 121' ' ' LEU . 56.1 t -71.03 -37.38 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -77.24 -14.9 59.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -93.21 -34.38 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.705 ' HE2' HD12 ' A' ' 99' ' ' LEU . 2.6 t80 -94.46 -46.12 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.498 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 2.5 mm? -110.51 157.99 36.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.01 57.04 4.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.693 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 41.9 tp -75.27 166.16 24.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' H ' HD12 ' A' ' 121' ' ' LEU . 10.0 ttpt -45.36 113.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.5 m -66.77 112.2 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.525 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.31 -154.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -154.59 151.15 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -134.79 164.15 28.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.633 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 7.3 mmmt -148.86 137.28 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -152.49 156.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.795 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.21 145.64 51.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -121.89 105.31 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' ASP . 45.0 t -97.42 129.34 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.704 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.4 m-20 45.01 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.634 ' CB ' ' HE1' ' A' ' 81' ' ' MET . 6.5 t70 63.26 10.74 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.43 106.77 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.58 27.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.92 -6.27 40.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.76 -36.43 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.698 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.6 ptm180 -53.5 -38.67 63.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ASN . 25.7 mt -65.75 -48.92 80.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -42.77 -57.32 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 8' ' ' ILE . 4.5 pp -71.41 -22.61 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 24' ' ' ASN . 47.5 t-20 -65.36 -62.73 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.0 -31.94 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -64.09 -53.25 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 35.1 m-85 -82.34 -16.95 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 20' ' ' ASN . 1.7 t30 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -52.18 -19.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 24' ' ' ASN . 3.0 mm-40 -91.98 -22.06 20.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 89.75 15.11 58.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.28 147.92 52.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 132.39 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.817 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 36.6 p -125.03 156.44 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -145.28 148.48 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 22.9 mp0 -111.73 153.31 26.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.14 168.38 19.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -127.38 45.31 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 2.7 m-20 162.12 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.765 ' HA3' HD12 ' A' ' 65' ' ' ILE . . . -88.78 -47.55 4.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -55.41 -56.81 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -52.88 -26.78 15.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -85.09 -26.59 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' A' ' 69' ' ' MET . 15.3 mt -64.39 -42.87 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.49 -52.32 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.795 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.54 -19.88 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.231 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -63.53 -58.31 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 43' ' ' VAL . 31.3 m -71.55 -36.13 70.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -57.56 -51.55 69.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' OE1' HG23 ' A' ' 42' ' ' ILE . 34.3 mp0 -92.95 -3.33 54.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.54 61.03 0.41 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.97 147.75 34.5 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 3.3 m-20 -81.16 3.36 23.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HD12 ' A' ' 119' ' ' LEU . 1.1 tp -166.61 142.72 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' A' ' 78' ' ' VAL . 85.8 t -138.23 143.75 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -121.05 123.39 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 54' ' ' ASP . 4.4 tt -125.55 140.42 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.983 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -105.35 130.11 53.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.591 ' CE ' ' N ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -58.99 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' MET . 2.4 mttm -36.94 106.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 10' ' ' ASP . 7.7 mm -149.76 135.93 10.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 144.55 30.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.56 -38.23 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 65' ' ' ILE . 8.3 ttp 179.09 104.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.55 164.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' LEU . . . -84.33 11.39 58.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG12 ' HE2' ' A' ' 89' ' ' MET . 41.2 mt -64.77 -37.47 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.37 -43.58 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.802 HG21 HD11 ' A' ' 53' ' ' LEU . 2.9 mm -51.95 -63.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.937 ' CD1' HD13 ' A' ' 53' ' ' LEU . 1.2 mm? -55.53 -28.66 56.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.12 -64.16 0.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 23.1 mtp180 -54.49 -35.66 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.941 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.78 -56.11 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -72.11 -41.56 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' LYS . 46.5 t -61.37 -27.94 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 68' ' ' ARG . 3.0 mm -78.55 -52.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.41 142.57 50.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -101.72 -5.33 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -99.33 -8.2 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 4.6 tt -62.97 138.95 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 99' ' ' LEU . 4.6 ttp-105 -121.0 108.91 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' A' ' 51' ' ' VAL . 4.8 t -143.24 155.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.719 HD12 ' CE2' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -117.95 142.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.846 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -102.5 151.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.634 ' HE1' ' CB ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -141.99 125.81 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.67 148.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.01 158.43 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 85' ' ' GLY . 52.5 p90 -66.42 -150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' CD2' ' A' ' 84' ' ' TYR . . . 77.22 -58.59 3.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.62 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.37 -35.84 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.56 -57.34 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 55' ' ' MET . 1.3 tmt? -62.43 -51.11 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CG2' ' CG ' ' A' ' 101' ' ' HIS . 3.2 mt -51.53 -53.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.75 -50.49 60.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.537 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.4 mt-10 -49.96 -49.5 50.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.93 -48.14 70.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -52.35 64.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.57 -12.78 59.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.16 -17.9 60.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.02 26.86 5.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.507 1.13 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.5 160.46 19.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 2.5 mm? -61.29 -45.42 94.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.2 t -175.33 -167.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.738 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.9 p-80 -144.24 123.98 13.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 79' ' ' ILE . 22.2 m-85 -106.0 156.55 18.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -103.57 144.37 31.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -28.33 -60.29 0.22 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.0 94.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -129.59 154.76 46.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -114.14 136.54 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 1.1 mp -61.73 -38.08 79.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.64 -43.29 84.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 111' ' ' ILE . 2.8 pt-20 -77.63 -24.84 49.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mp -79.63 -25.31 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -67.69 -21.86 65.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -46.95 11.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.37 -23.23 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 111' ' ' ILE . 2.9 t -69.19 -33.37 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -39.06 81.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -85.05 -35.14 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.911 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 t80 -56.66 -47.97 78.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.021 HD12 HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -89.32 153.27 48.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.851 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.05 57.52 4.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 122' ' ' LYS . 35.3 tp -93.22 165.8 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -42.83 122.22 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 p -65.52 129.06 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.485 0.183 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 tpp -155.12 175.13 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.644 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 31.1 m-20 -128.31 -177.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 18.5 tt0 60.46 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -140.04 158.88 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -163.15 151.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.738 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -132.14 143.98 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.764 HG21 ' CB ' ' A' ' 16' ' ' ARG . 47.6 mt -121.13 120.24 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 35' ' ' ASN . 12.6 t -126.58 132.0 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 52.55 175.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' SD ' ' A' ' 81' ' ' MET . 6.8 t70 68.98 6.97 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 112.97 10.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.47 29.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.48 42.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.83 -38.21 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -53.4 -38.05 63.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 12.5 mt -69.43 -45.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.73 -57.51 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.68 -23.96 61.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 44.8 t-20 -64.66 -59.3 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -51.79 -25.78 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.28 -60.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CE1' ' OH ' ' A' ' 118' ' ' TYR . 11.9 m-85 -66.08 -37.97 87.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.5 t30 -64.68 -35.94 82.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.28 -21.47 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 mm-40 -93.45 -22.14 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 101.64 7.69 47.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 8.3 m-30 -65.18 147.26 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.36 114.8 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 31.7 p -121.39 140.41 52.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 165.2 19.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 1.9 tt0 -128.73 146.65 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -135.99 154.53 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.41 39.63 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -175.7 173.57 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.947 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -96.07 -19.9 27.3 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -83.49 -52.77 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -58.13 -19.88 36.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -80.54 -29.93 37.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.778 HD21 ' HG3' ' A' ' 69' ' ' MET . 17.8 mt -61.1 -50.8 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.51 -49.6 62.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.696 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -61.1 -28.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.5 t -61.1 -49.94 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -76.48 -36.33 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -101.76 -6.58 23.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER 24.87 60.12 0.42 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 157.12 43.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -86.71 0.83 53.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -166.42 144.57 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.015 ' HB ' HG22 ' A' ' 78' ' ' VAL . 8.4 t -134.18 139.34 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' CD2' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -108.34 102.07 11.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.939 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -119.26 141.26 49.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.683 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -113.08 156.67 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.602 ' CE ' ' N ' ' A' ' 55' ' ' MET . 19.1 mmt -64.46 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.3 tttt -48.74 119.74 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -145.45 155.06 53.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.3 Cg_endo -75.02 126.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 100.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' CG1' ' A' ' 65' ' ' ILE . 1.6 ttp 65.42 95.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -48.88 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.705 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -89.33 23.16 19.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 61' ' ' ASP . 6.9 mt -69.86 -47.55 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -88.4 -33.35 17.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.947 HG21 ' HA3' ' A' ' 36' ' ' GLY . 14.3 mt -58.32 -55.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -63.04 -40.53 97.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.963 ' O ' HG23 ' A' ' 71' ' ' VAL . 6.4 mttt -52.05 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ILE . 12.2 mtp180 -55.36 -34.39 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 40' ' ' LEU . 1.4 ttt -54.88 -56.44 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.28 -42.99 71.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 67' ' ' LYS . 31.6 t -59.27 -30.63 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mm -78.87 -52.38 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -129.63 134.16 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -97.55 -8.85 28.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -93.97 -10.07 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.616 HD11 ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -61.63 126.44 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.354 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.555 ' NH2' ' CD2' ' A' ' 119' ' ' LEU . 5.8 ttp180 -109.55 109.54 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.015 HG22 ' HB ' ' A' ' 51' ' ' VAL . 16.9 t -142.96 146.37 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CD1' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -110.47 142.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.852 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -102.0 155.24 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE3' ' CB ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.0 132.39 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.95 142.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.43 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.34 157.52 4.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 51.9 p90 -77.8 51.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.61 -37.22 1.32 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.83 48.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.83 -39.31 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -39.42 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -78.38 -46.77 19.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 101' ' ' HIS . 2.5 mp -53.19 -45.54 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -51.13 -58.84 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.69 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.89 -45.62 50.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.655 ' HB2' HG21 ' A' ' 80' ' ' ILE . 6.6 p -58.05 -49.56 76.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.8 89.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -79.12 -11.19 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -77.59 -18.82 56.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.67 25.4 6.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.97 28.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 77' ' ' ARG . 2.9 mm? -60.24 -49.68 76.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.528 HG22 ' CD1' ' A' ' 79' ' ' ILE . 9.7 t -167.57 -156.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 80' ' ' ILE . 46.0 p-80 -143.74 122.93 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.594 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 103' ' ' ALA . 5.6 t80 -106.42 159.67 15.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.922 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -124.21 144.01 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.506 ' CB ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -43.32 -59.64 3.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.01 77.07 3.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.502 1.791 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.922 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.1 m-85 -127.92 163.29 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.455 ' CB ' ' HG3' ' A' ' 110' ' ' GLU . 3.1 t0 -109.77 143.43 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.55 -37.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -36.31 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -72.74 -41.59 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.2 mt -63.42 -28.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -26.59 61.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -45.11 23.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.2 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.959 HG13 ' CE1' ' A' ' 118' ' ' TYR . 74.3 t -52.38 -42.54 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -49.01 -23.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 115' ' ' VAL . 0.3 OUTLIER -110.91 -31.67 7.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.959 ' CE1' HG13 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -70.86 -23.62 62.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.985 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 171.69 146.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.95 4.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 122' ' ' LYS . 36.4 tp -92.48 166.03 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -43.83 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 121' ' ' LEU . 30.8 t -85.52 145.73 27.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -157.53 147.69 20.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.74 -174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.5 -176.84 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 1.7 mppt? -150.3 153.98 37.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.553 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -161.08 152.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -132.37 144.5 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.811 HD11 HD11 ' A' ' 19' ' ' LEU . 47.7 mt -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 33' ' ' ALA . 6.5 t -122.31 126.78 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 45.44 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 81' ' ' MET . 8.5 t70 64.18 10.15 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.69 101.77 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -135.69 27.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.81 -8.97 54.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.81 -38.97 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 8' ' ' ILE . 8.2 ptm180 -47.47 -40.19 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 20.3 mt -69.09 -49.21 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp -42.58 -53.42 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 8' ' ' ILE . 3.6 pp -74.65 -24.84 58.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' LEU . 54.1 t-20 -61.74 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -57.65 -27.36 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' LEU . 4.8 t -65.63 -46.42 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.911 ' CE1' HD13 ' A' ' 121' ' ' LEU . 33.7 m-85 -86.59 -38.71 16.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' CE1' ' A' ' 28' ' ' TYR . 6.9 t30 -46.47 -31.74 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.89 -20.89 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -90.24 -21.85 21.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 90.47 13.31 60.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.751 ' CZ ' HG21 ' A' ' 30' ' ' THR . 0.1 OUTLIER -67.64 149.89 49.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -85.93 134.1 33.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.751 HG21 ' CZ ' ' A' ' 28' ' ' TYR . 40.7 p -124.4 159.68 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -149.74 149.01 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.3 tt0 -113.69 143.63 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' O ' HG13 ' A' ' 9' ' ' VAL . . . -141.19 126.91 19.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.9 22.4 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -160.2 151.65 19.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.746 ' HA3' HD13 ' A' ' 65' ' ' ILE . . . -67.75 -54.22 19.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.62 -47.84 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -29.9 70.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -83.25 -21.35 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD21 ' HG3' ' A' ' 69' ' ' MET . 12.3 mt -68.36 -40.94 81.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -74.64 -56.32 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -57.52 -25.76 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.1 t -50.42 -54.89 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' VAL . 25.4 m -84.88 -35.86 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.23 -7.44 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.3 ptp180 24.66 63.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -74.97 149.6 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -86.63 -2.43 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD23 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -167.89 116.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.29 141.11 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.81 126.62 52.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 66' ' ' LEU . 9.2 tt -136.37 145.75 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -107.42 125.45 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.644 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.5 mmt -52.22 -58.23 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -52.23 104.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 58' ' ' PRO . 95.0 mt -138.6 143.12 36.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 57' ' ' ILE . 18.2 Cg_endo -74.99 126.02 9.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.74 97.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 65' ' ' ILE . 2.1 ttp 69.08 86.7 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.876 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.8 171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -89.45 3.27 83.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.876 HD12 ' CG ' ' A' ' 61' ' ' ASP . 10.6 mt -52.48 -40.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.52 -47.99 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA3' ' A' ' 36' ' ' GLY . 73.0 mt -46.7 -62.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 53' ' ' LEU . 1.2 mm? -55.17 -35.92 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.99 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -62.54 -64.2 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ILE . 19.9 mtp180 -53.04 -35.06 59.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.555 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -54.01 -58.54 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.76 -41.93 78.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.6 t -59.21 -31.64 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -78.16 -50.94 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.71 118.31 18.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.29 0.0 43.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -102.46 -7.59 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 73' ' ' ASP . 3.2 tt -62.79 138.32 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.896 ' HG3' HD21 ' A' ' 99' ' ' LEU . 8.8 ttp-105 -121.51 109.99 15.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.87 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -143.43 153.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 100' ' ' THR . 1.8 mm -112.19 142.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.832 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -110.05 150.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.515 ' HE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -141.7 125.16 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -171.15 152.52 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.704 ' HB2' ' HD2' ' A' ' 104' ' ' LYS . . . -55.15 157.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -83.92 34.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.76 -40.7 3.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -102.22 47.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 89' ' ' MET . 5.0 mt -45.61 -38.02 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -45.88 -25.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.767 ' HE2' ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -90.88 -54.02 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.618 HG22 ' ND1' ' A' ' 101' ' ' HIS . 3.0 mt -51.06 -38.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -52.27 -68.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.612 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -48.91 -36.14 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -42.07 72.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -66.33 -54.81 20.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -65.85 -13.09 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -74.22 -18.44 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.04 19.31 9.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.28 136.26 39.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.896 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -51.16 -51.59 52.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.69 HG22 HD11 ' A' ' 79' ' ' ILE . 2.9 t -162.39 168.8 21.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.618 ' ND1' HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -126.6 125.66 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.558 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -105.65 156.06 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -99.49 147.62 25.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mttp -24.66 -59.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.01 88.95 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.64 155.29 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.7 OUTLIER -113.74 143.82 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -69.59 -39.76 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.13 -45.03 79.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 107' ' ' ASP . 2.3 pt-20 -70.01 -24.1 63.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 115' ' ' VAL . 11.9 mt -79.42 -20.6 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 5.7 mtm180 -73.5 -19.35 60.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 -44.45 32.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.86 78.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 111' ' ' ILE . 46.5 t -72.72 -33.91 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.7 OUTLIER -78.48 -19.1 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -91.01 -33.06 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.594 ' CE1' ' HD3' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -94.42 -44.84 7.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.75 HD23 HD23 ' A' ' 50' ' ' LEU . 4.5 mm? -113.21 162.02 24.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 59.06 5.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.911 HD13 ' CE1' ' A' ' 23' ' ' PHE . 25.9 tp -88.24 165.68 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.3 tttm 37.63 83.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.3 p -62.88 103.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.452 0.168 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.5 166.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -126.76 168.41 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 174.7 151.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -150.79 159.09 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -160.37 135.72 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -114.68 143.29 45.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.77 HG12 HD21 ' A' ' 52' ' ' LEU . 13.3 mt -116.06 140.87 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.7 t -143.67 127.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 48.78 -176.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 65.7 8.59 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.3 112.37 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 28.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.01 -6.24 43.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -90.57 -38.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CB ' HG21 ' A' ' 8' ' ' ILE . 8.1 ptm180 -53.0 -38.47 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 15.3 mt -68.93 -45.35 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 tp -42.93 -58.0 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' HE2' ' A' ' 23' ' ' PHE . 2.6 pp -70.89 -23.62 62.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.487 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . 43.9 t-20 -65.82 -60.78 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.79 -26.62 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 18' ' ' LEU . 54.0 t -71.38 -60.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.791 ' CE2' HD13 ' A' ' 6' ' ' ILE . 12.5 m-30 -65.86 -42.47 90.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 5.8 t30 -59.21 -37.01 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -53.12 -21.08 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' CB ' ' CZ ' ' A' ' 28' ' ' TYR . 3.8 mm-40 -93.19 -20.94 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ASN . . . 96.33 23.57 16.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' CZ ' ' CB ' ' A' ' 26' ' ' GLU . 16.7 m-30 -79.67 144.78 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -82.62 115.55 21.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 37.7 p -124.67 156.31 37.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.35 164.29 33.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 3.6 tt0 -117.83 145.35 44.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 32' ' ' GLN . . . -139.5 160.04 40.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -127.27 33.27 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 57' ' ' ILE . 14.4 m120 -171.38 166.07 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' A' ' 65' ' ' ILE . . . -77.06 -45.43 11.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -51.44 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -53.35 -29.91 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -82.05 -31.78 30.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 mt -66.85 -47.91 70.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -43.93 92.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -73.85 -23.24 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -61.54 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.4 m -91.3 -34.39 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -52.25 19.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -82.67 -11.17 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 7.1 ptp180 32.09 59.08 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HG3' HD13 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.02 154.89 42.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' CB ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -100.07 1.06 41.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HG ' ' CD2' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -167.4 123.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.056 HG13 HG23 ' A' ' 78' ' ' VAL . 1.6 p -127.01 145.2 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -113.65 143.79 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HD21 ' A' ' 66' ' ' LEU . 3.2 tm? -145.08 129.74 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -95.05 131.7 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.569 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -33.95 -37.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.569 ' N ' ' HG2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -64.16 158.89 21.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.793 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER 161.69 141.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.793 ' HD2' HD13 ' A' ' 57' ' ' ILE . 18.5 Cg_endo -74.96 126.74 10.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.18 108.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.533 ' HE3' ' HB2' ' A' ' 64' ' ' GLU . 2.5 ttp 54.74 102.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -45.99 171.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.902 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -75.61 -19.38 79.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 61' ' ' ASP . 7.0 mt -45.11 -39.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 60' ' ' MET . 2.2 mm-40 -87.2 -46.52 9.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' A' ' 36' ' ' GLY . 49.2 mt -47.54 -62.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.028 HD21 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.63 -40.71 66.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.965 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -54.99 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ILE . 2.5 mtp85 -54.66 -34.17 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -56.95 -56.13 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.74 -42.67 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 67' ' ' LYS . 25.4 t -59.71 -30.79 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' ARG . 3.3 mm -79.47 -49.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.773 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.94 120.66 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.74 -20.62 38.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -76.06 -16.24 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 73' ' ' ASP . 2.7 tt -59.53 140.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.816 ' HG3' HD21 ' A' ' 99' ' ' LEU . 13.0 ttp180 -120.94 112.42 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.056 HG23 HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -140.24 152.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -116.85 143.11 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -107.29 154.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.679 ' CE ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.01 128.9 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' CG1' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -172.57 138.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . . . -63.5 158.75 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 37.6 p90 -67.4 56.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -124.64 -38.59 0.5 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.79 48.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 mt -43.86 -33.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.62 -49.28 10.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 tpt -64.41 -45.79 86.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 87' ' ' LEU . 7.3 mt -55.77 -58.83 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.98 -48.82 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -62.44 -35.91 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.74 ' HB2' HG21 ' A' ' 80' ' ' ILE . 1.1 p -62.16 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -43.47 98.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.73 -11.67 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 92' ' ' GLU . 2.1 mp -82.51 -18.05 42.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.23 19.29 10.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.18 138.9 45.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.816 HD21 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -57.49 -52.97 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.709 HG21 ' HB1' ' A' ' 114' ' ' ALA . 0.7 OUTLIER -156.77 174.5 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.391 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.817 ' CG ' HG23 ' A' ' 90' ' ' ILE . 4.7 p-80 -132.69 122.28 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CE2' HD13 ' A' ' 79' ' ' ILE . 20.2 m-85 -105.83 156.94 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 106' ' ' PHE . . . -112.13 146.82 37.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.5 mttm -26.06 -62.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.06 93.63 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -127.61 154.95 44.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.501 ' CB ' ' HG2' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -113.77 145.13 41.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG22 ' NH1' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -65.97 -37.23 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.55 -46.35 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 107' ' ' ASP . 4.9 pt-20 -70.78 -27.22 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 mt -71.88 -21.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' A' ' 108' ' ' ILE . 3.0 mtt-85 -67.09 -23.92 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -56.4 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.709 ' HB1' HG21 ' A' ' 100' ' ' THR . . . -57.09 -32.01 65.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.732 ' HA ' ' CD1' ' A' ' 118' ' ' TYR . 2.8 t -56.5 -38.87 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -51.43 -23.64 4.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -112.76 -23.29 10.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.732 ' CD1' ' HA ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -80.55 -23.72 39.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 173.72 144.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 56.62 4.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 122' ' ' LYS . 41.1 tp -92.87 166.09 12.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.567 ' H ' HD12 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -40.75 108.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.06 145.9 24.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 stop_ save_